Diff of the two buildlogs:

--
--- b1/build.log	2025-08-16 00:45:58.004958466 +0000
+++ b2/build.log	2025-08-16 02:14:35.988003586 +0000
@@ -1,6 +1,6 @@
 I: pbuilder: network access will be disabled during build
-I: Current time: Fri Aug 15 11:19:54 -12 2025
-I: pbuilder-time-stamp: 1755299994
+I: Current time: Fri Sep 18 21:09:22 +14 2026
+I: pbuilder-time-stamp: 1789715362
 I: Building the build Environment
 I: extracting base tarball [/var/cache/pbuilder/forky-reproducible-base.tgz]
 I: copying local configuration
@@ -34,53 +34,85 @@
 dpkg-source: info: applying script-shebang-line.patch
 I: Not using root during the build.
 I: Installing the build-deps
-I: user script /srv/workspace/pbuilder/1268376/tmp/hooks/D02_print_environment starting
+I: user script /srv/workspace/pbuilder/2767361/tmp/hooks/D01_modify_environment starting
+debug: Running on codethink03-arm64.
+I: Changing host+domainname to test build reproducibility
+I: Adding a custom variable just for the fun of it...
+I: Changing /bin/sh to bash
+'/bin/sh' -> '/bin/bash'
+lrwxrwxrwx 1 root root 9 Sep 18 07:09 /bin/sh -> /bin/bash
+I: Setting pbuilder2's login shell to /bin/bash
+I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other
+I: user script /srv/workspace/pbuilder/2767361/tmp/hooks/D01_modify_environment finished
+I: user script /srv/workspace/pbuilder/2767361/tmp/hooks/D02_print_environment starting
 I: set
-  BUILDDIR='/build/reproducible-path'
-  BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other'
-  BUILDUSERNAME='pbuilder1'
-  BUILD_ARCH='arm64'
-  DEBIAN_FRONTEND='noninteractive'
+  BASH=/bin/sh
+  BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath
+  BASH_ALIASES=()
+  BASH_ARGC=()
+  BASH_ARGV=()
+  BASH_CMDS=()
+  BASH_LINENO=([0]="12" [1]="0")
+  BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:.
+  BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment")
+  BASH_VERSINFO=([0]="5" [1]="2" [2]="37" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu")
+  BASH_VERSION='5.2.37(1)-release'
+  BUILDDIR=/build/reproducible-path
+  BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other'
+  BUILDUSERNAME=pbuilder2
+  BUILD_ARCH=arm64
+  DEBIAN_FRONTEND=noninteractive
   DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 '
-  DISTRIBUTION='forky'
-  HOME='/root'
-  HOST_ARCH='arm64'
+  DIRSTACK=()
+  DISTRIBUTION=forky
+  EUID=0
+  FUNCNAME=([0]="Echo" [1]="main")
+  GROUPS=()
+  HOME=/root
+  HOSTNAME=i-capture-the-hostname
+  HOSTTYPE=aarch64
+  HOST_ARCH=arm64
   IFS=' 	
   '
-  INVOCATION_ID='6e49e8e76db04a10a3b18671fa1c4d3c'
-  LANG='C'
-  LANGUAGE='en_US:en'
-  LC_ALL='C'
-  MAIL='/var/mail/root'
-  OPTIND='1'
-  PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games'
-  PBCURRENTCOMMANDLINEOPERATION='build'
-  PBUILDER_OPERATION='build'
-  PBUILDER_PKGDATADIR='/usr/share/pbuilder'
-  PBUILDER_PKGLIBDIR='/usr/lib/pbuilder'
-  PBUILDER_SYSCONFDIR='/etc'
-  PPID='1268376'
-  PS1='# '
-  PS2='> '
+  INVOCATION_ID=61f1f3ce260447b3b545a799444e3283
+  LANG=C
+  LANGUAGE=nl_BE:nl
+  LC_ALL=C
+  MACHTYPE=aarch64-unknown-linux-gnu
+  MAIL=/var/mail/root
+  OPTERR=1
+  OPTIND=1
+  OSTYPE=linux-gnu
+  PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path
+  PBCURRENTCOMMANDLINEOPERATION=build
+  PBUILDER_OPERATION=build
+  PBUILDER_PKGDATADIR=/usr/share/pbuilder
+  PBUILDER_PKGLIBDIR=/usr/lib/pbuilder
+  PBUILDER_SYSCONFDIR=/etc
+  PIPESTATUS=([0]="0")
+  POSIXLY_CORRECT=y
+  PPID=2767361
   PS4='+ '
-  PWD='/'
-  SHELL='/bin/bash'
-  SHLVL='2'
-  SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.JaGWbdjZ/pbuilderrc_yxaI --distribution forky --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/forky-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.JaGWbdjZ/b1 --logfile b1/build.log gromacs_2025.2-1.dsc'
-  SUDO_GID='109'
-  SUDO_HOME='/var/lib/jenkins'
-  SUDO_UID='104'
-  SUDO_USER='jenkins'
-  TERM='unknown'
-  TZ='/usr/share/zoneinfo/Etc/GMT+12'
-  USER='root'
-  _='/usr/bin/systemd-run'
-  http_proxy='http://192.168.101.4:3128'
+  PWD=/
+  SHELL=/bin/bash
+  SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix
+  SHLVL=3
+  SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.JaGWbdjZ/pbuilderrc_qNd3 --distribution forky --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/forky-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.JaGWbdjZ/b2 --logfile b2/build.log gromacs_2025.2-1.dsc'
+  SUDO_GID=109
+  SUDO_HOME=/var/lib/jenkins
+  SUDO_UID=104
+  SUDO_USER=jenkins
+  TERM=unknown
+  TZ=/usr/share/zoneinfo/Etc/GMT-14
+  UID=0
+  USER=root
+  _='I: set'
+  http_proxy=http://192.168.101.4:3128
 I: uname -a
-  Linux codethink04-arm64 6.12.41+deb13-cloud-arm64 #1 SMP Debian 6.12.41-1 (2025-08-12) aarch64 GNU/Linux
+  Linux i-capture-the-hostname 6.12.41+deb13-cloud-arm64 #1 SMP Debian 6.12.41-1 (2025-08-12) aarch64 GNU/Linux
 I: ls -l /bin
-  lrwxrwxrwx 1 root root 7 Aug 10 12:30 /bin -> usr/bin
-I: user script /srv/workspace/pbuilder/1268376/tmp/hooks/D02_print_environment finished
+  lrwxrwxrwx 1 root root 7 May 12  2025 /bin -> usr/bin
+I: user script /srv/workspace/pbuilder/2767361/tmp/hooks/D02_print_environment finished
  -> Attempting to satisfy build-dependencies
  -> Creating pbuilder-satisfydepends-dummy package
 Package: pbuilder-satisfydepends-dummy
@@ -533,7 +565,7 @@
 Get: 335 http://deb.debian.org/debian forky/main arm64 texlive-latex-recommended all 2024.20250309-1 [8745 kB]
 Get: 336 http://deb.debian.org/debian forky/main arm64 texlive-pictures all 2024.20250309-1 [17.0 MB]
 Get: 337 http://deb.debian.org/debian forky/main arm64 texlive-latex-extra all 2024.20250309-2 [25.2 MB]
-Fetched 369 MB in 2s (234 MB/s)
+Fetched 369 MB in 2s (221 MB/s)
 Preconfiguring packages ...
 Selecting previously unselected package libexpat1:arm64.
 (Reading database ... 
(Reading database ... 5%
(Reading database ... 10%
(Reading database ... 15%
(Reading database ... 20%
(Reading database ... 25%
(Reading database ... 30%
(Reading database ... 35%
(Reading database ... 40%
(Reading database ... 45%
(Reading database ... 50%
(Reading database ... 55%
(Reading database ... 60%
(Reading database ... 65%
(Reading database ... 70%
(Reading database ... 75%
(Reading database ... 80%
(Reading database ... 85%
(Reading database ... 90%
(Reading database ... 95%
(Reading database ... 100%
(Reading database ... 19963 files and directories currently installed.)
@@ -1619,8 +1651,8 @@
 Setting up tzdata (2025b-4) ...
 
 Current default time zone: 'Etc/UTC'
-Local time is now:      Fri Aug 15 23:20:49 UTC 2025.
-Universal Time is now:  Fri Aug 15 23:20:49 UTC 2025.
+Local time is now:      Fri Sep 18 07:10:11 UTC 2026.
+Universal Time is now:  Fri Sep 18 07:10:11 UTC 2026.
 Run 'dpkg-reconfigure tzdata' if you wish to change it.
 
 Setting up libfontenc1:arm64 (1:1.1.8-1+b2) ...
@@ -1944,7 +1976,11 @@
 Building tag database...
  -> Finished parsing the build-deps
 I: Building the package
-I: Running cd /build/reproducible-path/gromacs-2025.2/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S  > ../gromacs_2025.2-1_source.changes
+I: user script /srv/workspace/pbuilder/2767361/tmp/hooks/A99_set_merged_usr starting
+Not re-configuring usrmerge for forky
+I: user script /srv/workspace/pbuilder/2767361/tmp/hooks/A99_set_merged_usr finished
+hostname: Name or service not known
+I: Running cd /build/reproducible-path/gromacs-2025.2/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S  > ../gromacs_2025.2-1_source.changes
 dpkg-buildpackage: info: source package gromacs
 dpkg-buildpackage: info: source version 2025.2-1
 dpkg-buildpackage: info: source distribution unstable
@@ -2170,7 +2206,7 @@
 -- Performing Test COMPILER_HAS_DEPRECATED_ATTR - Success
 -- Found Sphinx: /usr/bin/sphinx-build (found suitable version "8.1.3", minimum required is "4.0.0") found components: pygments
 -- Found LATEX: /usr/bin/latex
--- Configuring done (28.0s)
+-- Configuring done (28.1s)
 -- Generating done (0.7s)
 -- Build files have been written to: /build/reproducible-path/gromacs-2025.2/build/basic
 (mkdir -p build/basic-dp; cd build/basic-dp; cmake \
@@ -2391,7 +2427,7 @@
 -- Performing Test COMPILER_HAS_DEPRECATED_ATTR - Success
 -- Found Sphinx: /usr/bin/sphinx-build (found suitable version "8.1.3", minimum required is "4.0.0") found components: pygments
 -- Found LATEX: /usr/bin/latex
--- Configuring done (29.2s)
+-- Configuring done (29.5s)
 -- Generating done (0.7s)
 -- Build files have been written to: /build/reproducible-path/gromacs-2025.2/build/basic-dp
 (mkdir -p build/mpi; cd build/mpi; CC=/usr/bin/mpicc CXX=/usr/bin/mpicxx cmake \
@@ -2630,7 +2666,7 @@
 -- Performing Test HAVE_NO_IMPLICIT_INT_FLOAT_CONVERSION - Success
 -- Found Sphinx: /usr/bin/sphinx-build (found suitable version "8.1.3", minimum required is "4.0.0") found components: pygments
 -- Found LATEX: /usr/bin/latex
--- Configuring done (34.5s)
+-- Configuring done (33.6s)
 -- Generating done (0.8s)
 -- Build files have been written to: /build/reproducible-path/gromacs-2025.2/build/mpi
 (mkdir -p build/mpi-dp; cd build/mpi-dp; CC=/usr/bin/mpicc CXX=/usr/bin/mpicxx cmake \
@@ -2865,8 +2901,8 @@
 -- Performing Test COMPILER_HAS_DEPRECATED_ATTR - Success
 -- Found Sphinx: /usr/bin/sphinx-build (found suitable version "8.1.3", minimum required is "4.0.0") found components: pygments
 -- Found LATEX: /usr/bin/latex
--- Configuring done (30.2s)
--- Generating done (0.8s)
+-- Configuring done (31.2s)
+-- Generating done (0.7s)
 -- Build files have been written to: /build/reproducible-path/gromacs-2025.2/build/mpi-dp
 touch configure-stamp
 dh_testdir
@@ -2886,185 +2922,185 @@
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/CMakeFiles/release-version-info.dir/DependInfo.cmake "--color="
 /usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend
-/usr/bin/make  -f src/gromacs/CMakeFiles/colvars_objlib.dir/build.make src/gromacs/CMakeFiles/colvars_objlib.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/external/rpc_xdr /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/external/rpc_xdr /build/reproducible-path/gromacs-2025.2/build/basic/src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/DependInfo.cmake "--color="
+/usr/bin/make  -f src/gromacs/CMakeFiles/colvars_objlib.dir/build.make src/gromacs/CMakeFiles/colvars_objlib.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 /usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend
 /usr/bin/make  -f src/gromacs/options/CMakeFiles/options.dir/build.make src/gromacs/options/CMakeFiles/options.dir/depend
-make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+/usr/bin/make  -f src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/build.make src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/depend
+/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/options /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options/CMakeFiles/options.dir/DependInfo.cmake "--color="
-/usr/bin/make  -f src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/build.make src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/options /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options/CMakeFiles/options.dir/DependInfo.cmake "--color="
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-/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend
-cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/energyanalysis /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/DependInfo.cmake "--color="
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 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/energyanalysis /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/DependInfo.cmake "--color="
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-/usr/bin/make  -f src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/build.make src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/build
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-cd /build/reproducible-path/gromacs-2025.2 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2025.2-Debian_2025.2_1 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2025.2 -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2025.2/build/basic/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2025.2/build/basic/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2025.2-1 -P /build/reproducible-path/gromacs-2025.2/cmake/gmxGenerateVersionInfoWithoutGit.cmake
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+cd /build/reproducible-path/gromacs-2025.2 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2025.2-Debian_2025.2_1 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2025.2 -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2025.2/build/basic/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2025.2/build/basic/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2025.2-1 -P /build/reproducible-path/gromacs-2025.2/cmake/gmxGenerateVersionInfoWithoutGit.cmake
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+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/bwlzh.c
+/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/bwlzh.c
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+/usr/bin/make  -f src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/build.make src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/build
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+/usr/bin/make  -f src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/build.make src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/build
+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-stringop-truncation -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -MF CMakeFiles/linearalgebra.dir/eigensolver.cpp.o.d -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/eigensolver.cpp
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+/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/external/rpc_xdr && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -MD -MT src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/xdr.cpp.o -MF CMakeFiles/internal_rpc_xdr.dir/xdr.cpp.o.d -o CMakeFiles/internal_rpc_xdr.dir/xdr.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/rpc_xdr/xdr.cpp
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+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -MF CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o.d -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/mdrun.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/energyanalysis && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-cast-function-type-strict -MD -MT src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/energyterm.cpp.o -MF CMakeFiles/energyanalysis.dir/energyterm.cpp.o.d -o CMakeFiles/energyanalysis.dir/energyterm.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/energyterm.cpp
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+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvar.cpp
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+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -MD -MT src/gromacs/selection/CMakeFiles/scanner.dir/parser.cpp.o -MF CMakeFiles/scanner.dir/parser.cpp.o.d -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/selection/parser.cpp
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+/usr/bin/make  -f src/programs/CMakeFiles/gmx_objlib.dir/build.make src/programs/CMakeFiles/gmx_objlib.dir/build
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -MD -MT src/programs/CMakeFiles/gmx_objlib.dir/gmx.cpp.o -MF CMakeFiles/gmx_objlib.dir/gmx.cpp.o.d -o CMakeFiles/gmx_objlib.dir/gmx.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/gmx.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -MD -MT src/programs/CMakeFiles/gmx_objlib.dir/gmx.cpp.o -MF CMakeFiles/gmx_objlib.dir/gmx.cpp.o.d -o CMakeFiles/gmx_objlib.dir/gmx.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/gmx.cpp
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 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/abstractoption.cpp.o -MF CMakeFiles/options.dir/abstractoption.cpp.o.d -o CMakeFiles/options.dir/abstractoption.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/abstractoption.cpp
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build
-make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvar.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/energyanalysis && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-cast-function-type-strict -MD -MT src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/energyterm.cpp.o -MF CMakeFiles/energyanalysis.dir/energyterm.cpp.o.d -o CMakeFiles/energyanalysis.dir/energyterm.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/energyterm.cpp
-make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -MF CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o.d -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/mdrun.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-stringop-truncation -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -MF CMakeFiles/linearalgebra.dir/eigensolver.cpp.o.d -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/eigensolver.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar_neuralnetworkcompute.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar_neuralnetworkcompute.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar_neuralnetworkcompute.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvar_neuralnetworkcompute.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/abstractsection.cpp.o -MF CMakeFiles/options.dir/abstractsection.cpp.o.d -o CMakeFiles/options.dir/abstractsection.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/abstractsection.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/external/rpc_xdr && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -MD -MT src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/xdr_array.cpp.o -MF CMakeFiles/internal_rpc_xdr.dir/xdr_array.cpp.o.d -o CMakeFiles/internal_rpc_xdr.dir/xdr_array.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/rpc_xdr/xdr_array.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/atomic.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/atomic.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/pthreads.cpp
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 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/pthreads.cpp
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 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[  0%] Built target lmfit_objlib
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -MF CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o.d -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/nonbonded_bench.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_wait.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_wait.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_wait.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/p2p_wait.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/collective.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/collective.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/collective.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/collective.cpp
+[  0%] Built target energyanalysis
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/fixpoint.c
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/huffman.c
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[  0%] Built target gmx_objlib
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-stringop-truncation -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/matrix.cpp.o -MF CMakeFiles/linearalgebra.dir/matrix.cpp.o.d -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/matrix.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/bcast.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/bcast.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/bcast.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/bcast.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/huffman.c
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_wait.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_wait.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_wait.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/p2p_wait.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -MD -MT src/gromacs/selection/CMakeFiles/scanner.dir/scanner.cpp.o -MF CMakeFiles/scanner.dir/scanner.cpp.o.d -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/selection/scanner.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/basicoptions.cpp.o -MF CMakeFiles/options.dir/basicoptions.cpp.o.d -o CMakeFiles/options.dir/basicoptions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/basicoptions.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/collective.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/collective.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/collective.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/collective.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[  0%] Built target mdrun_objlib
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/behaviorcollection.cpp.o -MF CMakeFiles/options.dir/behaviorcollection.cpp.o.d -o CMakeFiles/options.dir/behaviorcollection.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/behaviorcollection.cpp
+[  0%] Built target lmfit_objlib
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-stringop-truncation -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -MF CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o.d -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/sparsematrix.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/huffmem.c
+[  0%] Built target gmx_objlib
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvaratoms.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/profile.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/profile.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/profile.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/profile.cpp
-[  0%] Built target energyanalysis
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/comm.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/comm.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/comm.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/comm.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias.cpp
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-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[  0%] Built target scanner
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/xtc2.c
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abmd.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abmd.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abmd.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_abmd.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_alb.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_alb.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_alb.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_alb.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_histogram.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/optionsection.cpp.o -MF CMakeFiles/options.dir/optionsection.cpp.o.d -o CMakeFiles/options.dir/optionsection.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/optionsection.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/once.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/optionsvisitor.cpp.o -MF CMakeFiles/options.dir/optionsvisitor.cpp.o.d -o CMakeFiles/options.dir/optionsvisitor.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/optionsvisitor.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/timeunitmanager.cpp.o -MF CMakeFiles/options.dir/timeunitmanager.cpp.o.d -o CMakeFiles/options.dir/timeunitmanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/timeunitmanager.cpp
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-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/scan.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/lib/tng_io.c
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram_reweight_amd.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram_reweight_amd.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram_reweight_amd.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_histogram_reweight_amd.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/treesupport.cpp.o -MF CMakeFiles/options.dir/treesupport.cpp.o.d -o CMakeFiles/options.dir/treesupport.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/treesupport.cpp
 /usr/bin/make  -f src/gromacs/pulling/CMakeFiles/pulling.dir/build.make src/gromacs/pulling/CMakeFiles/pulling.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pulling/CMakeFiles/pulling.dir/DependInfo.cmake "--color="
-[  0%] Built target scanner
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/lib/tng_io.c
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 /usr/bin/make  -f src/gromacs/pulling/CMakeFiles/pulling.dir/build.make src/gromacs/pulling/CMakeFiles/pulling.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pulling && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/output.cpp.o -MF CMakeFiles/pulling.dir/output.cpp.o.d -o CMakeFiles/pulling.dir/output.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/output.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_alb.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_alb.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_alb.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_alb.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/optionsvisitor.cpp.o -MF CMakeFiles/options.dir/optionsvisitor.cpp.o.d -o CMakeFiles/options.dir/optionsvisitor.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/optionsvisitor.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/timeunitmanager.cpp.o -MF CMakeFiles/options.dir/timeunitmanager.cpp.o.d -o CMakeFiles/options.dir/timeunitmanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/timeunitmanager.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_histogram.cpp
-[  4%] Built target thread_mpi
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram_reweight_amd.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram_reweight_amd.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram_reweight_amd.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_histogram_reweight_amd.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/lib/md5.c
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_meta.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_meta.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_meta.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_meta.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/numa_malloc.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/numa_malloc.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/numa_malloc.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/numa_malloc.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/once.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/treesupport.cpp.o -MF CMakeFiles/options.dir/treesupport.cpp.o.d -o CMakeFiles/options.dir/treesupport.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/treesupport.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_meta.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_meta.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_meta.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_meta.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_opes.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_opes.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_opes.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_opes.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[  4%] Built target thread_mpi
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_restraint.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_restraint.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_restraint.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_restraint.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pulling && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/pullcoordexpressionparser.cpp.o -MF CMakeFiles/pulling.dir/pullcoordexpressionparser.cpp.o.d -o CMakeFiles/pulling.dir/pullcoordexpressionparser.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/pullcoordexpressionparser.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_restraint.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_restraint.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_restraint.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_restraint.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_alchlambda.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_alchlambda.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_alchlambda.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_alchlambda.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
@@ -3075,14 +3111,15 @@
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_coordnums.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_coordnums.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_coordnums.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_coordnums.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_distances.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_distances.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_distances.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_distances.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_gpath.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_gpath.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_gpath.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_gpath.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[  6%] Built target tng_io_obj
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_neuralnetwork.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_neuralnetwork.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_neuralnetwork.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_neuralnetwork.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_protein.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_protein.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_protein.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_protein.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_rotations.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_rotations.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_rotations.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_rotations.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[  6%] Built target pulling
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_torchann.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_torchann.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_torchann.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_torchann.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_volmaps.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_volmaps.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_volmaps.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_volmaps.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[  8%] Built target pulling
+[  8%] Built target tng_io_obj
 /usr/bin/make  -f src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/build.make src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/taskassignment /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/DependInfo.cmake "--color="
@@ -3090,7 +3127,6 @@
 /usr/bin/make  -f src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/build.make src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/taskassignment && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/decidegpuusage.cpp.o -MF CMakeFiles/taskassignment.dir/decidegpuusage.cpp.o.d -o CMakeFiles/taskassignment.dir/decidegpuusage.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/decidegpuusage.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/taskassignment && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/decidesimulationworkload.cpp.o -MF CMakeFiles/taskassignment.dir/decidesimulationworkload.cpp.o.d -o CMakeFiles/taskassignment.dir/decidesimulationworkload.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/decidesimulationworkload.cpp
 /usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake "--color="
@@ -3098,57 +3134,57 @@
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 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -Wno-missing-field-initializers -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/andersentemperaturecoupling.cpp.o -MF CMakeFiles/modularsimulator.dir/andersentemperaturecoupling.cpp.o.d -o CMakeFiles/modularsimulator.dir/andersentemperaturecoupling.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/andersentemperaturecoupling.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_volmaps.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_volmaps.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_volmaps.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_volmaps.cpp
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 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/nr_jacobi.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/nr_jacobi.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/nr_jacobi.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/nr_jacobi.cpp
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 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
@@ -3905,12 +3941,12 @@
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/logging.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/logging.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/logging.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/logging.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/multisim.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/printtime.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/threadaffinity.cpp
 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrun/tpi.cpp: In member function 'std::pair<double, double> gmx::TestParticleInsertion::performSingleInsertion(double, int64_t, bool, const gmx::RVec&, t_state*, gmx::MdrunScheduleWorkload*, gmx_wallcycle*, t_nrnb*)':
 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrun/tpi.cpp:494:85: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
   494 |                                                                         t_nrnb* nrnb)
       |                                                                                     ^
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/printtime.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/threadaffinity.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o -MF CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o.d -o CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdtypes/state_propagator_data_gpu_impl.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/fileio/checkpoint.cpp.o -MF CMakeFiles/libgromacs.dir/fileio/checkpoint.cpp.o.d -o CMakeFiles/libgromacs.dir/fileio/checkpoint.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/checkpoint.cpp
@@ -3993,48 +4029,48 @@
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib && /usr/bin/c++ -DGMX_DOUBLE=0 -DTMPI_USE_VISIBILITY -Dnblib_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT api/nblib/CMakeFiles/nblib.dir/integrator.cpp.o -MF CMakeFiles/nblib.dir/integrator.cpp.o.d -o CMakeFiles/nblib.dir/integrator.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/integrator.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib && /usr/bin/c++ -DGMX_DOUBLE=0 -DTMPI_USE_VISIBILITY -Dnblib_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT api/nblib/CMakeFiles/nblib.dir/interactions.cpp.o -MF CMakeFiles/nblib.dir/interactions.cpp.o.d -o CMakeFiles/nblib.dir/interactions.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/interactions.cpp
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gmx.dir/link.d CMakeFiles/gmx_objlib.dir/gmx.cpp.o CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../bin/gmx  ../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmx.dir/link.txt --verbose=1
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+/usr/bin/make  -f api/nblib/CMakeFiles/nblib.dir/build.make api/nblib/CMakeFiles/nblib.dir/build
+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib && /usr/bin/c++ -DGMX_DOUBLE=0 -DTMPI_USE_VISIBILITY -Dnblib_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT api/nblib/CMakeFiles/nblib.dir/nbnxmsetuphelpers.cpp.o -MF CMakeFiles/nblib.dir/nbnxmsetuphelpers.cpp.o.d -o CMakeFiles/nblib.dir/nbnxmsetuphelpers.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/nbnxmsetuphelpers.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib && /usr/bin/c++ -DGMX_DOUBLE=0 -DTMPI_USE_VISIBILITY -Dnblib_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT api/nblib/CMakeFiles/nblib.dir/tpr.cpp.o -MF CMakeFiles/nblib.dir/tpr.cpp.o.d -o CMakeFiles/nblib.dir/tpr.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tpr.cpp
@@ -4061,13 +4097,13 @@
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/samples && /usr/bin/c++ -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fopenmp -MD -MT api/nblib/samples/CMakeFiles/argon-forces-integration.dir/argon-forces-integration.cpp.o -MF CMakeFiles/argon-forces-integration.dir/argon-forces-integration.cpp.o.d -o CMakeFiles/argon-forces-integration.dir/argon-forces-integration.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/samples/argon-forces-integration.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/options /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/CMakeFiles/options.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/abstractoption.cpp.o -MF CMakeFiles/options.dir/abstractoption.cpp.o.d -o CMakeFiles/options.dir/abstractoption.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/abstractoption.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/energyanalysis && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-cast-function-type-strict -MD -MT src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/energyterm.cpp.o -MF CMakeFiles/energyanalysis.dir/energyterm.cpp.o.d -o CMakeFiles/energyanalysis.dir/energyterm.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/energyterm.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/errhandler.cpp
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/bwlzh.c
+/usr/bin/make  -f src/gromacs/CMakeFiles/colvars_objlib.dir/build.make src/gromacs/CMakeFiles/colvars_objlib.dir/build
+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -MF CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o.d -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/lmfit/lmmin.cpp
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-make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/errhandler.cpp
-/usr/bin/make  -f src/programs/CMakeFiles/gmx_objlib.dir/build.make src/programs/CMakeFiles/gmx_objlib.dir/build
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvar.cpp
+/usr/bin/make  -f src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/build.make src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/build
 /usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -MD -MT src/programs/CMakeFiles/gmx_objlib.dir/gmx.cpp.o -MF CMakeFiles/gmx_objlib.dir/gmx.cpp.o.d -o CMakeFiles/gmx_objlib.dir/gmx.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/gmx.cpp
-/usr/bin/make  -f src/gromacs/options/CMakeFiles/options.dir/build.make src/gromacs/options/CMakeFiles/options.dir/build
+/usr/bin/make  -f src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/build.make src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/build
+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/external/rpc_xdr && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -MD -MT src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/xdr.cpp.o -MF CMakeFiles/internal_rpc_xdr.dir/xdr.cpp.o.d -o CMakeFiles/internal_rpc_xdr.dir/xdr.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/rpc_xdr/xdr.cpp
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-stringop-truncation -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -MF CMakeFiles/linearalgebra.dir/eigensolver.cpp.o.d -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/eigensolver.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/abstractoption.cpp.o -MF CMakeFiles/options.dir/abstractoption.cpp.o.d -o CMakeFiles/options.dir/abstractoption.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/abstractoption.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/energyanalysis && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-cast-function-type-strict -MD -MT src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/energyterm.cpp.o -MF CMakeFiles/energyanalysis.dir/energyterm.cpp.o.d -o CMakeFiles/energyanalysis.dir/energyterm.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/energyterm.cpp
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+/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -MF CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o.d -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/lmfit/lmmin.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -MF CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o.d -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/mdrun.cpp
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+/usr/bin/make  -f src/programs/CMakeFiles/gmx_objlib.dir/build.make src/programs/CMakeFiles/gmx_objlib.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -MD -MT src/programs/CMakeFiles/gmx_objlib.dir/gmx.cpp.o -MF CMakeFiles/gmx_objlib.dir/gmx.cpp.o.d -o CMakeFiles/gmx_objlib.dir/gmx.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/gmx.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvar.cpp
 [  2%] Built target release-version-info
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -MD -MT src/programs/CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o -MF CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o.d -o CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/legacymodules.cpp
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 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 [  2%] Built target internal_rpc_xdr
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -MD -MT src/programs/CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o -MF CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o.d -o CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/legacymodules.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_protocol.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_protocol.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_protocol.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/p2p_protocol.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[  2%] Built target gmx_objlib
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvaratoms.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 [  2%] Built target energyanalysis
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/abstractsection.cpp.o -MF CMakeFiles/options.dir/abstractsection.cpp.o.d -o CMakeFiles/options.dir/abstractsection.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/abstractsection.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/barrier.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/barrier.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/barrier.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/barrier.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/dict.c
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/fixpoint.c
-[  2%] Built target lmfit_objlib
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -MF CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o.d -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/nonbonded_bench.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_send_recv.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_send_recv.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_send_recv.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/p2p_send_recv.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/huffman.c
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/bcast.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/bcast.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/bcast.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/bcast.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-stringop-truncation -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/matrix.cpp.o -MF CMakeFiles/linearalgebra.dir/matrix.cpp.o.d -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/matrix.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/huffman.c
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[  2%] Built target mdrun_objlib
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-stringop-truncation -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -MF CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o.d -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/sparsematrix.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/huffmem.c
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_wait.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_wait.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_wait.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/p2p_wait.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/abstractsection.cpp.o -MF CMakeFiles/options.dir/abstractsection.cpp.o.d -o CMakeFiles/options.dir/abstractsection.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/abstractsection.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/lz77.c
+[  2%] Built target lmfit_objlib
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/basicoptions.cpp.o -MF CMakeFiles/options.dir/basicoptions.cpp.o.d -o CMakeFiles/options.dir/basicoptions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/basicoptions.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/behaviorcollection.cpp.o -MF CMakeFiles/options.dir/behaviorcollection.cpp.o.d -o CMakeFiles/options.dir/behaviorcollection.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/behaviorcollection.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar_neuralnetworkcompute.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar_neuralnetworkcompute.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar_neuralnetworkcompute.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvar_neuralnetworkcompute.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvaratoms.cpp
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-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[  2%] Built target mdrun_objlib
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/scan.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abmd.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abmd.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abmd.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_abmd.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/filenameoptionmanager.cpp.o -MF CMakeFiles/options.dir/filenameoptionmanager.cpp.o.d -o CMakeFiles/options.dir/filenameoptionmanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/filenameoptionmanager.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_histogram.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/warnmalloc.c
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/widemuldiv.c
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/xtc2.c
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/scan.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_alb.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_alb.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_alb.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_alb.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 [  2%] Built target scanner
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/warnmalloc.c
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_histogram.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram_reweight_amd.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram_reweight_amd.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram_reweight_amd.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_histogram_reweight_amd.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 [  2%] Built target linearalgebra
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/widemuldiv.c
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/xtc3.c
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/once.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/lib/tng_io.c
 /usr/bin/make  -f src/gromacs/pulling/CMakeFiles/pulling.dir/build.make src/gromacs/pulling/CMakeFiles/pulling.dir/depend
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pulling/CMakeFiles/pulling.dir/DependInfo.cmake "--color="
@@ -4255,39 +4294,41 @@
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 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pulling && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/output.cpp.o -MF CMakeFiles/pulling.dir/output.cpp.o.d -o CMakeFiles/pulling.dir/output.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/output.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/options.cpp.o -MF CMakeFiles/options.dir/options.cpp.o.d -o CMakeFiles/options.dir/options.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/options.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pulling && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/pull.cpp.o -MF CMakeFiles/pulling.dir/pull.cpp.o.d -o CMakeFiles/pulling.dir/pull.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/pull.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_opes.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_opes.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_opes.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_opes.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/once.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 [  6%] Built target thread_mpi
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/optionsassigner.cpp.o -MF CMakeFiles/options.dir/optionsassigner.cpp.o.d -o CMakeFiles/options.dir/optionsassigner.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/optionsassigner.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/lib/tng_io.c
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pulling && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/pullutil.cpp.o -MF CMakeFiles/pulling.dir/pullutil.cpp.o.d -o CMakeFiles/pulling.dir/pullutil.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/pullutil.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pulling && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/transformationcoordinate.cpp.o -MF CMakeFiles/pulling.dir/transformationcoordinate.cpp.o.d -o CMakeFiles/pulling.dir/transformationcoordinate.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/transformationcoordinate.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[  6%] Built target options
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_combination.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_combination.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_combination.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_combination.cpp
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+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[  8%] Built target tng_io_obj
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_distances.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_distances.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_distances.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_distances.cpp
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-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[  6%] Built target options
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_neuralnetwork.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_neuralnetwork.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_neuralnetwork.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_neuralnetwork.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[  8%] Built target pulling
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_protein.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_protein.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_protein.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_protein.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_rotations.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_rotations.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_rotations.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_rotations.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_torchann.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_torchann.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_torchann.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_torchann.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 10%] Built target pulling
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 /usr/bin/make  -f src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/build.make src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/depend
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/taskassignment /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/DependInfo.cmake "--color="
@@ -4295,16 +4336,6 @@
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 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/taskassignment && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/decidesimulationworkload.cpp.o -MF CMakeFiles/taskassignment.dir/decidesimulationworkload.cpp.o.d -o CMakeFiles/taskassignment.dir/decidesimulationworkload.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/decidesimulationworkload.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_volmaps.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_volmaps.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_volmaps.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_volmaps.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 10%] Built target tng_io_obj
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvardeps.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvardeps.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvardeps.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvardeps.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake "--color="
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 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 [ 14%] Built target colvars_objlib
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
@@ -5113,11 +5149,11 @@
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/multisim.cpp
 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrun/tpi.cpp: In member function 'std::pair<double, double> gmx::TestParticleInsertion::performSingleInsertion(double, int64_t, bool, const gmx::RVec&, t_state*, gmx::MdrunScheduleWorkload*, gmx_wallcycle*, t_nrnb*)':
 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrun/tpi.cpp:494:85: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
   494 |                                                                         t_nrnb* nrnb)
       |                                                                                     ^
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/multisim.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/printtime.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/threadaffinity.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o -MF CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o.d -o CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdtypes/state_propagator_data_gpu_impl.cpp
@@ -5199,39 +5235,41 @@
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmx.dir/link.txt --verbose=1
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+/usr/bin/make  -f api/gmxapi/CMakeFiles/gmxapi.dir/build.make api/gmxapi/CMakeFiles/gmxapi.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib && /usr/bin/c++ -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dnblib_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT api/nblib/CMakeFiles/nblib.dir/box.cpp.o -MF CMakeFiles/nblib.dir/box.cpp.o.d -o CMakeFiles/nblib.dir/box.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/box.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib && /usr/bin/c++ -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dnblib_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT api/nblib/CMakeFiles/nblib.dir/molecules.cpp.o -MF CMakeFiles/nblib.dir/molecules.cpp.o.d -o CMakeFiles/nblib.dir/molecules.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/molecules.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib && /usr/bin/c++ -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dnblib_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT api/nblib/CMakeFiles/nblib.dir/molecules.cpp.o -MF CMakeFiles/nblib.dir/molecules.cpp.o.d -o CMakeFiles/nblib.dir/molecules.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/molecules.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -Dgmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/CMakeFiles/gmxapi.dir/cpp/mdsignals.cpp.o -MF CMakeFiles/gmxapi.dir/cpp/mdsignals.cpp.o.d -o CMakeFiles/gmxapi.dir/cpp/mdsignals.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/mdsignals.cpp
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 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 [ 95%] Built target gmx
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -Dgmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/CMakeFiles/gmxapi.dir/cpp/mdsignals.cpp.o -MF CMakeFiles/gmxapi.dir/cpp/mdsignals.cpp.o.d -o CMakeFiles/gmxapi.dir/cpp/mdsignals.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/mdsignals.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib && /usr/bin/c++ -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dnblib_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT api/nblib/CMakeFiles/nblib.dir/virials.cpp.o -MF CMakeFiles/nblib.dir/virials.cpp.o.d -o CMakeFiles/nblib.dir/virials.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/virials.cpp
@@ -5239,9 +5277,7 @@
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib && /usr/bin/c++ -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dnblib_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT api/nblib/CMakeFiles/nblib.dir/listed_forces/transformations.cpp.o -MF CMakeFiles/nblib.dir/listed_forces/transformations.cpp.o.d -o CMakeFiles/nblib.dir/listed_forces/transformations.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/transformations.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib && /usr/bin/c++ -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dnblib_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT api/nblib/CMakeFiles/nblib.dir/listed_forces/conversions.cpp.o -MF CMakeFiles/nblib.dir/listed_forces/conversions.cpp.o.d -o CMakeFiles/nblib.dir/listed_forces/conversions.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/conversions.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib && /usr/bin/c++ -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dnblib_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT api/nblib/CMakeFiles/nblib.dir/listed_forces/convertGmxToNblib.cpp.o -MF CMakeFiles/nblib.dir/listed_forces/convertGmxToNblib.cpp.o.d -o CMakeFiles/nblib.dir/listed_forces/convertGmxToNblib.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/convertGmxToNblib.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -Dgmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/CMakeFiles/gmxapi.dir/cpp/workflow.cpp.o -MF CMakeFiles/gmxapi.dir/cpp/workflow.cpp.o.d -o CMakeFiles/gmxapi.dir/cpp/workflow.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/workflow.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib && /usr/bin/c++ -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dnblib_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT api/nblib/CMakeFiles/nblib.dir/util/setup.cpp.o -MF CMakeFiles/nblib.dir/util/setup.cpp.o.d -o CMakeFiles/nblib.dir/util/setup.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/util/setup.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -Dgmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/CMakeFiles/gmxapi.dir/cpp/tpr.cpp.o -MF CMakeFiles/gmxapi.dir/cpp/tpr.cpp.o.d -o CMakeFiles/gmxapi.dir/cpp/tpr.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tpr.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gmxapi.dir/link.d   -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libgmxapi_d.so.0 -o ../../lib/libgmxapi_d.so.0.4.0 CMakeFiles/gmxapi.dir/cpp/resourceassignment.cpp.o CMakeFiles/gmxapi.dir/cpp/context.cpp.o CMakeFiles/gmxapi.dir/cpp/exceptions.cpp.o CMakeFiles/gmxapi.dir/cpp/gmxapi.cpp.o CMakeFiles/gmxapi.dir/cpp/md.cpp.o CMakeFiles/gmxapi.dir/cpp/mdmodule.cpp.o CMakeFiles/gmxapi.dir/cpp/mdsignals.cpp.o CMakeFiles/gmxapi.dir/cpp/session.cpp.o CMakeFiles/gmxapi.dir/cpp/status.cpp.o CMakeFiles/gmxapi.dir/cpp/system.cpp.o CMakeFiles/gmxapi.dir/cpp/version.cpp.o CMakeFiles/gmxapi.dir/cpp/workflow.cpp.o CMakeFiles/gmxapi.dir/cpp/tpr.cpp.o  ../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi && /usr/bin/cmake -E cmake_symlink_library ../../lib/libgmxapi_d.so.0.4.0 ../../lib/libgmxapi_d.so.0 ../../lib/libgmxapi_d.so
@@ -5259,11 +5295,11 @@
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib/samples /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/samples /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/samples/CMakeFiles/methane-water-integration.dir/DependInfo.cmake "--color="
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-/usr/bin/make  -f api/nblib/samples/CMakeFiles/methane-water-integration.dir/build.make api/nblib/samples/CMakeFiles/methane-water-integration.dir/build
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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+cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/qmmm/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/CMakeFiles/qmmm_applied_forces-test.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxlib/nonbonded/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxlib/nonbonded/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxlib/nonbonded/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxlib/nonbonded/tests/CMakeFiles/nonbonded-fep-test.dir/nb_free_energy.cpp.o -MF CMakeFiles/nonbonded-fep-test.dir/nb_free_energy.cpp.o.d -o CMakeFiles/nonbonded-fep-test.dir/nb_free_energy.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxlib/nonbonded/tests/nb_free_energy.cpp
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/densityfitting/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/densityfitting/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/densityfitting/tests/CMakeFiles/density_fitting_applied_forces-test.dir/DependInfo.cmake "--color="
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o -MF CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o.d -o CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/tests/mpitest.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/qmmm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/qmmm/tests/CMakeFiles/qmmm_applied_forces-test.dir/qmmminputgenerator.cpp.o -MF CMakeFiles/qmmm_applied_forces-test.dir/qmmminputgenerator.cpp.o.d -o CMakeFiles/qmmm_applied_forces-test.dir/qmmminputgenerator.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/qmmm/tests/qmmminputgenerator.cpp
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o -MF CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o.d -o CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/physicalnodecommunicator_mpi.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o -MF CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o.d -o CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/calc_verletbuf.cpp
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib_test_infrastructure.dir/testsystems.cpp.o -MF CMakeFiles/nblib_test_infrastructure.dir/testsystems.cpp.o.d -o CMakeFiles/nblib_test_infrastructure.dir/testsystems.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/testsystems.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o -MF CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o.d -o CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/physicalnodecommunicator_mpi.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/densityfitting/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/densityfitting/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/densityfitting/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/densityfitting/tests/CMakeFiles/density_fitting_applied_forces-test.dir/densityfitting.cpp.o -MF CMakeFiles/density_fitting_applied_forces-test.dir/densityfitting.cpp.o.d -o CMakeFiles/density_fitting_applied_forces-test.dir/densityfitting.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/densityfitting/tests/densityfitting.cpp
-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o -MF CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o.d -o CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/tests/mpitest.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/colvars/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/colvars/tests/CMakeFiles/colvars_applied_forces-test.dir/colvarspreprocessor.cpp.o -MF CMakeFiles/colvars_applied_forces-test.dir/colvarspreprocessor.cpp.o.d -o CMakeFiles/colvars_applied_forces-test.dir/colvarspreprocessor.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/colvars/tests/colvarspreprocessor.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -MF CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o.d -o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/densityfitting/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/densityfitting/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/densityfitting/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/densityfitting/tests/CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingamplitudelookup.cpp.o -MF CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingamplitudelookup.cpp.o.d -o CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingamplitudelookup.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/densityfitting/tests/densityfittingamplitudelookup.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/calcvir.cpp.o -MF CMakeFiles/mdlib-test.dir/calcvir.cpp.o.d -o CMakeFiles/mdlib-test.dir/calcvir.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/calcvir.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/testutils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils-mpi-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/colvars/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/colvars/tests/CMakeFiles/colvars_applied_forces-test.dir/colvarsoptions.cpp.o -MF CMakeFiles/colvars_applied_forces-test.dir/colvarsoptions.cpp.o.d -o CMakeFiles/colvars_applied_forces-test.dir/colvarsoptions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/colvars/tests/colvarsoptions.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testutils-mpi-test.dir/link.d "CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o" "CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o" -o ../../../bin/testutils-mpi-test  ../../../lib/libtestutils.a ../../../lib/libtestutils.a ../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../lib/libgmock.so.1.13.0 ../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 [ 62%] Built target testutils-mpi-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/densityfitting/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/densityfitting/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/densityfitting/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/densityfitting/tests/CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingforceprovider.cpp.o -MF CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingforceprovider.cpp.o.d -o CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingforceprovider.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/densityfitting/tests/densityfittingforceprovider.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o -MF CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o.d -o CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/trajectorycomparison.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 62%] Built target nblib_test_infrastructure
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/biasgrid.cpp.o -MF CMakeFiles/awh-test.dir/biasgrid.cpp.o.d -o CMakeFiles/awh-test.dir/biasgrid.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/biasgrid.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/densityfitting/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/densityfitting/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/densityfitting/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/densityfitting/tests/CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingoptions.cpp.o -MF CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingoptions.cpp.o.d -o CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingoptions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/densityfitting/tests/densityfittingoptions.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/arrayref.cpp.o -MF CMakeFiles/utility-test.dir/arrayref.cpp.o.d -o CMakeFiles/utility-test.dir/arrayref.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/arrayref.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/simulatorcomparison.cpp.o -MF CMakeFiles/mdrun_test_infrastructure.dir/simulatorcomparison.cpp.o.d -o CMakeFiles/mdrun_test_infrastructure.dir/simulatorcomparison.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/simulatorcomparison.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/colvars/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/colvars/tests/CMakeFiles/colvars_applied_forces-test.dir/colvarsforceprovider.cpp.o -MF CMakeFiles/colvars_applied_forces-test.dir/colvarsforceprovider.cpp.o.d -o CMakeFiles/colvars_applied_forces-test.dir/colvarsforceprovider.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/colvars/tests/colvarsforceprovider.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxlib/nonbonded/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nonbonded-fep-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nonbonded-fep-test.dir/link.d "CMakeFiles/nonbonded-fep-test.dir/nb_free_energy.cpp.o" "CMakeFiles/nonbonded-fep-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/nonbonded-fep-test  ../../../../../lib/libtestutils.a ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs.so.10.0.0 -lm ../../../../../lib/libgmock.so.1.13.0 ../../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 62%] Built target nonbonded-fep-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/booltype.cpp.o -MF CMakeFiles/utility-test.dir/booltype.cpp.o.d -o CMakeFiles/utility-test.dir/booltype.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/booltype.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/densityfitting/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/densityfitting/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/densityfitting/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/densityfitting/tests/CMakeFiles/density_fitting_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/density_fitting_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/density_fitting_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib_test_infrastructure.dir/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib_test_infrastructure.dir/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib_test_infrastructure.dir/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/colvars/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/colvars/tests/CMakeFiles/colvars_applied_forces-test.dir/colvarspreprocessor.cpp.o -MF CMakeFiles/colvars_applied_forces-test.dir/colvarspreprocessor.cpp.o.d -o CMakeFiles/colvars_applied_forces-test.dir/colvarspreprocessor.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/colvars/tests/colvarspreprocessor.cpp
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 /usr/bin/make  -f src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_applied_forces-test.dir/build.make src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_applied_forces-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/booltype.cpp.o -MF CMakeFiles/utility-test.dir/booltype.cpp.o.d -o CMakeFiles/utility-test.dir/booltype.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/booltype.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/plumed/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/plumed/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/plumed/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/plumed_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/plumed_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/ebin.cpp.o -MF CMakeFiles/mdlib-test.dir/ebin.cpp.o.d -o CMakeFiles/mdlib-test.dir/ebin.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/ebin.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/qmmm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/qmmm/tests/CMakeFiles/qmmm_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/qmmm_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/qmmm_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 /usr/bin/make  -f src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/build.make src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/nnpot/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/DependInfo.cmake "--color="
@@ -5662,59 +5708,40 @@
 /usr/bin/make  -f src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/build.make src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/nnpot/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/nnpot.cpp.o -MF CMakeFiles/nnpot_applied_forces-test.dir/nnpot.cpp.o.d -o CMakeFiles/nnpot_applied_forces-test.dir/nnpot.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/nnpot/tests/nnpot.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/densityfitting/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/density_fitting_applied_forces-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/density_fitting_applied_forces-test.dir/link.d "CMakeFiles/density_fitting_applied_forces-test.dir/densityfitting.cpp.o" "CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingamplitudelookup.cpp.o" "CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingforceprovider.cpp.o" "CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingoptions.cpp.o" "CMakeFiles/density_fitting_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/density_fitting_applied_forces-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs.so.10.0.0 ../../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 62%] Built target density_fitting_applied_forces-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun_test_infrastructure.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun_test_infrastructure.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/testutils/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/testutils/tests/CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o -MF CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o.d -o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/tests/testasserts_tests.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/plumed/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/plumed_applied_forces-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/biasstate.cpp.o -MF CMakeFiles/awh-test.dir/biasstate.cpp.o.d -o CMakeFiles/awh-test.dir/biasstate.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/biasstate.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/qmmm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/qmmm/tests/CMakeFiles/qmmm_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/qmmm_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/qmmm_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/plumed_applied_forces-test.dir/link.d "CMakeFiles/plumed_applied_forces-test.dir/plumedOptions.cpp.o" "CMakeFiles/plumed_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/plumed_applied_forces-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs.so.10.0.0 ../../../../../lib/libgmock.so.1.13.0 -lm ../../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 62%] Built target plumed_applied_forces-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o -MF CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o.d -o CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/constrtestrunners.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/bitmask32.cpp.o -MF CMakeFiles/utility-test.dir/bitmask32.cpp.o.d -o CMakeFiles/utility-test.dir/bitmask32.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/bitmask32.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxlib/nonbonded/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nonbonded-fep-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/colvars/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/colvars/tests/CMakeFiles/colvars_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/colvars_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/colvars_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nonbonded-fep-test.dir/link.d "CMakeFiles/nonbonded-fep-test.dir/nb_free_energy.cpp.o" "CMakeFiles/nonbonded-fep-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/nonbonded-fep-test  ../../../../../lib/libtestutils.a ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs.so.10.0.0 -lm ../../../../../lib/libgmock.so.1.13.0 ../../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 62%] Built target nonbonded-fep-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/ebin.cpp.o -MF CMakeFiles/mdlib-test.dir/ebin.cpp.o.d -o CMakeFiles/mdlib-test.dir/ebin.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/ebin.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/nnpot/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/nnpotoptions.cpp.o -MF CMakeFiles/nnpot_applied_forces-test.dir/nnpotoptions.cpp.o.d -o CMakeFiles/nnpot_applied_forces-test.dir/nnpotoptions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/nnpot/tests/nnpotoptions.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/qmmm_applied_forces-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/qmmm_applied_forces-test.dir/link.d "CMakeFiles/qmmm_applied_forces-test.dir/qmmminputgenerator.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmmtopologypreprocessor.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmmoptions.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmmforceprovider.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmm.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/qmmm_applied_forces-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs.so.10.0.0 ../../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 62%] Built target qmmm_applied_forces-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/testutils/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/testutils/tests/CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o -MF CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o.d -o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/tests/xvgtest_tests.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/bias_fep_lambda_state.cpp.o -MF CMakeFiles/awh-test.dir/bias_fep_lambda_state.cpp.o.d -o CMakeFiles/awh-test.dir/bias_fep_lambda_state.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/bias_fep_lambda_state.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/bitmask64.cpp.o -MF CMakeFiles/utility-test.dir/bitmask64.cpp.o.d -o CMakeFiles/utility-test.dir/bitmask64.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/bitmask64.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/testutils/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/testutils/tests/CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -MF CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o.d -o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/colvars_applied_forces-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/nnpot/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/nnpottopologypreprocessor.cpp.o -MF CMakeFiles/nnpot_applied_forces-test.dir/nnpottopologypreprocessor.cpp.o.d -o CMakeFiles/nnpot_applied_forces-test.dir/nnpottopologypreprocessor.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/nnpot/tests/nnpottopologypreprocessor.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/colvars_applied_forces-test.dir/link.d "CMakeFiles/colvars_applied_forces-test.dir/colvars.cpp.o" "CMakeFiles/colvars_applied_forces-test.dir/colvarsoptions.cpp.o" "CMakeFiles/colvars_applied_forces-test.dir/colvarspreprocessor.cpp.o" "CMakeFiles/colvars_applied_forces-test.dir/colvarsforceprovider.cpp.o" "CMakeFiles/colvars_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/colvars_applied_forces-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs.so.10.0.0 ../../../../../lib/libgmock.so.1.13.0 -lm ../../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 [ 62%] Built target colvars_applied_forces-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/bitmask128.cpp.o -MF CMakeFiles/utility-test.dir/bitmask128.cpp.o.d -o CMakeFiles/utility-test.dir/bitmask128.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/bitmask128.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/energydrifttracker.cpp.o -MF CMakeFiles/mdlib-test.dir/energydrifttracker.cpp.o.d -o CMakeFiles/mdlib-test.dir/energydrifttracker.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/energydrifttracker.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -P CMakeFiles/mdrun_test_infrastructure.dir/cmake_clean_target.cmake
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun_test_infrastructure.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/qmmm_applied_forces-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/bitmask32.cpp.o -MF CMakeFiles/utility-test.dir/bitmask32.cpp.o.d -o CMakeFiles/utility-test.dir/bitmask32.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/bitmask32.cpp
 /usr/bin/ar qc ../../../../lib/libmdrun_test_infrastructure.a CMakeFiles/mdrun_test_infrastructure.dir/energyreader.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/energycomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/moduletest.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/simulatorcomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/terminationhelper.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o
 /usr/bin/ranlib ../../../../lib/libmdrun_test_infrastructure.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 [ 62%] Built target mdrun_test_infrastructure
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/cstringutil.cpp.o -MF CMakeFiles/utility-test.dir/cstringutil.cpp.o.d -o CMakeFiles/utility-test.dir/cstringutil.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/cstringutil.cpp
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testutils-test.dir/link.d "CMakeFiles/testutils-test.dir/interactivetest.cpp.o" "CMakeFiles/testutils-test.dir/naming.cpp.o" "CMakeFiles/testutils-test.dir/refdata_tests.cpp.o" "CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o" "CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o" "CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o" -o ../../../bin/testutils-test  ../../../lib/libtestutils.a ../../../lib/libtestutils.a ../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../lib/libgmock.so.1.13.0 ../../../lib/libgtest.so.1.13.0
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/biasstate.cpp.o -MF CMakeFiles/awh-test.dir/biasstate.cpp.o.d -o CMakeFiles/awh-test.dir/biasstate.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/biasstate.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/nnpot/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/nnpotoptions.cpp.o -MF CMakeFiles/nnpot_applied_forces-test.dir/nnpotoptions.cpp.o.d -o CMakeFiles/nnpot_applied_forces-test.dir/nnpotoptions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/nnpot/tests/nnpotoptions.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/qmmm_applied_forces-test.dir/link.d "CMakeFiles/qmmm_applied_forces-test.dir/qmmminputgenerator.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmmtopologypreprocessor.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmmoptions.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmmforceprovider.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmm.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/qmmm_applied_forces-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs.so.10.0.0 ../../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 62%] Built target testutils-test
+[ 62%] Built target qmmm_applied_forces-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/bias_fep_lambda_state.cpp.o -MF CMakeFiles/awh-test.dir/bias_fep_lambda_state.cpp.o.d -o CMakeFiles/awh-test.dir/bias_fep_lambda_state.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/bias_fep_lambda_state.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/densityfitting/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/density_fitting_applied_forces-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/testutils/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/testutils/tests/CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -MF CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o.d -o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/nnpot/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/nnpottopologypreprocessor.cpp.o -MF CMakeFiles/nnpot_applied_forces-test.dir/nnpottopologypreprocessor.cpp.o.d -o CMakeFiles/nnpot_applied_forces-test.dir/nnpottopologypreprocessor.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/nnpot/tests/nnpottopologypreprocessor.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/density_fitting_applied_forces-test.dir/link.d "CMakeFiles/density_fitting_applied_forces-test.dir/densityfitting.cpp.o" "CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingamplitudelookup.cpp.o" "CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingforceprovider.cpp.o" "CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingoptions.cpp.o" "CMakeFiles/density_fitting_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/density_fitting_applied_forces-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs.so.10.0.0 ../../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 62%] Built target density_fitting_applied_forces-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/bitmask64.cpp.o -MF CMakeFiles/utility-test.dir/bitmask64.cpp.o.d -o CMakeFiles/utility-test.dir/bitmask64.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/bitmask64.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/plumed/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/plumed_applied_forces-test.dir/link.txt --verbose=1
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/energyoutput.cpp.o -MF CMakeFiles/mdlib-test.dir/energyoutput.cpp.o.d -o CMakeFiles/mdlib-test.dir/energyoutput.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/energyoutput.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o -MF CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o.d -o CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/defaultinitializationallocator.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 62%] Built target plumed_applied_forces-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/friction_metric.cpp.o -MF CMakeFiles/awh-test.dir/friction_metric.cpp.o.d -o CMakeFiles/awh-test.dir/friction_metric.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/friction_metric.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/expanded.cpp.o -MF CMakeFiles/mdlib-test.dir/expanded.cpp.o.d -o CMakeFiles/mdlib-test.dir/expanded.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/expanded.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/nnpot/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/nnpot_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/nnpot_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/nnpot/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/nnpotforceprovider.cpp.o -MF CMakeFiles/nnpot_applied_forces-test.dir/nnpotforceprovider.cpp.o.d -o CMakeFiles/nnpot_applied_forces-test.dir/nnpotforceprovider.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/nnpot/tests/nnpotforceprovider.cpp
 /usr/bin/make  -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/DependInfo.cmake "--color="
@@ -5722,9 +5749,13 @@
 /usr/bin/make  -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/electricfield.cpp.o -MF CMakeFiles/applied_forces-test.dir/electricfield.cpp.o.d -o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/tests/electricfield.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 62%] Built target testutils-test
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 /usr/bin/make  -f src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/build.make src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/listed_forces/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/listed_forces/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/DependInfo.cmake "--color="
@@ -5732,10 +5763,28 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/bonded.cpp.o -MF CMakeFiles/listed_forces-test.dir/bonded.cpp.o.d -o CMakeFiles/listed_forces-test.dir/bonded.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/listed_forces/tests/bonded.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nnpot_applied_forces-test.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 [ 64%] Built target nnpot_applied_forces-test
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 64%] Built target applied_forces-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o -MF CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o.d -o CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/enumerationhelpers.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 65%] Built target awh-test
 /usr/bin/make  -f src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/build.make src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/DependInfo.cmake "--color="
@@ -5743,9 +5792,10 @@
 /usr/bin/make  -f src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/build.make src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/exclusions.cpp.o -MF CMakeFiles/nbnxm-test.dir/exclusions.cpp.o.d -o CMakeFiles/nbnxm-test.dir/exclusions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/exclusions.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-gpu-test.dir/pairlist.cpp.o -MF CMakeFiles/nbnxm-gpu-test.dir/pairlist.cpp.o.d -o CMakeFiles/nbnxm-gpu-test.dir/pairlist.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/pairlist.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/applied_forces-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o -MF CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o.d -o CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/inmemoryserializer.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/applied_forces-test.dir/link.d "CMakeFiles/applied_forces-test.dir/electricfield.cpp.o" "CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/applied_forces-test  ../../../../lib/libtestutils.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 64%] Built target applied_forces-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/position_restraints.cpp.o -MF CMakeFiles/listed_forces-test.dir/position_restraints.cpp.o.d -o CMakeFiles/listed_forces-test.dir/position_restraints.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/listed_forces/tests/position_restraints.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/awh-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/awh-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-gpu-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/nbnxm-gpu-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/nbnxm-gpu-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/kernelsetup.cpp.o -MF CMakeFiles/nbnxm-test.dir/kernelsetup.cpp.o.d -o CMakeFiles/nbnxm-test.dir/kernelsetup.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/kernelsetup.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nbnxm-gpu-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/awh/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/awh-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nbnxm-gpu-test.dir/link.d "CMakeFiles/nbnxm-gpu-test.dir/pairlist.cpp.o" "CMakeFiles/nbnxm-gpu-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/nbnxm-gpu-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 64%] Built target nbnxm-gpu-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/listed_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/listed_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/simd_energy_accumulator.cpp.o -MF CMakeFiles/nbnxm-test.dir/simd_energy_accumulator.cpp.o.d -o CMakeFiles/nbnxm-test.dir/simd_energy_accumulator.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/simd_energy_accumulator.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/awh-test.dir/link.d "CMakeFiles/awh-test.dir/awh_setup.cpp.o" "CMakeFiles/awh-test.dir/bias.cpp.o" "CMakeFiles/awh-test.dir/biasgrid.cpp.o" "CMakeFiles/awh-test.dir/biassharing.cpp.o" "CMakeFiles/awh-test.dir/biasstate.cpp.o" "CMakeFiles/awh-test.dir/bias_fep_lambda_state.cpp.o" "CMakeFiles/awh-test.dir/friction_metric.cpp.o" "CMakeFiles/awh-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/awh-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs.so.10.0.0 ../../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 65%] Built target awh-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/testsystem.cpp.o -MF CMakeFiles/nbnxm-test.dir/testsystem.cpp.o.d -o CMakeFiles/nbnxm-test.dir/testsystem.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/testsystem.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/langevintestdata.cpp.o -MF CMakeFiles/mdlib-test.dir/langevintestdata.cpp.o.d -o CMakeFiles/mdlib-test.dir/langevintestdata.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/langevintestdata.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o -MF CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o.d -o CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/keyvaluetreeserializer.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o -MF CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o.d -o CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/keyvaluetreetransform.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/langevintestrunners.cpp.o -MF CMakeFiles/mdlib-test.dir/langevintestrunners.cpp.o.d -o CMakeFiles/mdlib-test.dir/langevintestrunners.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/langevintestrunners.cpp
-/build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/testsystem.cpp: In function 'std::pair<float, float> gmx::test::{anonymous}::combineLJParams(real, real, real, real, gmx::LJCombinationRule)':
-/build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/testsystem.cpp:94:80: note: parameter passing for argument of type 'std::pair<float, float>' when C++17 is enabled changed to match C++14 in GCC 10.1
-   94 |                                       const LJCombinationRule ljCombinationRule)
-      |                                                                                ^
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/listoflists.cpp.o -MF CMakeFiles/utility-test.dir/listoflists.cpp.o.d -o CMakeFiles/utility-test.dir/listoflists.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/listoflists.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/nbnxm-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/nbnxm-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 /usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/DependInfo.cmake "--color="
@@ -5791,8 +5812,8 @@
 /usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o -MF CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o.d -o CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/onlinehelp/tests/mock_helptopic.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/leapfrog.cpp.o -MF CMakeFiles/mdlib-test.dir/leapfrog.cpp.o.d -o CMakeFiles/mdlib-test.dir/leapfrog.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/leapfrog.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o -MF CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o.d -o CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/leapfrogtestdata.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/kernelsetup.cpp.o -MF CMakeFiles/nbnxm-test.dir/kernelsetup.cpp.o.d -o CMakeFiles/nbnxm-test.dir/kernelsetup.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/kernelsetup.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/onlinehelp-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/onlinehelp-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 /usr/bin/make  -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/DependInfo.cmake "--color="
@@ -5800,10 +5821,12 @@
 /usr/bin/make  -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/domdec/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/hashedmap.cpp.o -MF CMakeFiles/domdec-test.dir/hashedmap.cpp.o.d -o CMakeFiles/domdec-test.dir/hashedmap.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/domdec/tests/hashedmap.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 65%] Built target nbnxm-gpu-test
 /usr/bin/make  -f src/gromacs/domdec/tests/CMakeFiles/domdec-mpi-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-mpi-test.dir/depend
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 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/domdec/tests/CMakeFiles/domdec-mpi-test.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/domdec/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/domdec/tests/CMakeFiles/domdec-mpi-test.dir/haloexchange_mpi.cpp.o -MF CMakeFiles/domdec-mpi-test.dir/haloexchange_mpi.cpp.o.d -o CMakeFiles/domdec-mpi-test.dir/haloexchange_mpi.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/domdec/tests/haloexchange_mpi.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/listed_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/listed_forces-test.dir/link.txt --verbose=1
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 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/listed_forces-test.dir/link.d "CMakeFiles/listed_forces-test.dir/bonded.cpp.o" "CMakeFiles/listed_forces-test.dir/pairs.cpp.o" "CMakeFiles/listed_forces-test.dir/position_restraints.cpp.o" "CMakeFiles/listed_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/listed_forces-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 [ 65%] Built target listed_forces-test
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/domdec/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/message_string_collector.cpp.o -MF CMakeFiles/utility-test.dir/message_string_collector.cpp.o.d -o CMakeFiles/utility-test.dir/message_string_collector.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/message_string_collector.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/logger.cpp.o -MF CMakeFiles/utility-test.dir/logger.cpp.o.d -o CMakeFiles/utility-test.dir/logger.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/logger.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/cmake -P CMakeFiles/onlinehelp-test-shared.dir/cmake_clean_target.cmake
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test-shared.dir/link.txt --verbose=1
 /usr/bin/ar qc ../../../../lib/libonlinehelp-test-shared.a "CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o" "CMakeFiles/onlinehelp-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o"
 /usr/bin/ranlib ../../../../lib/libonlinehelp-test-shared.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 [ 65%] Built target onlinehelp-test-shared
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o -MF CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o.d -o CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/leapfrogtestrunners.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/testsystem.cpp.o -MF CMakeFiles/nbnxm-test.dir/testsystem.cpp.o.d -o CMakeFiles/nbnxm-test.dir/testsystem.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/testsystem.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/message_string_collector.cpp.o -MF CMakeFiles/utility-test.dir/message_string_collector.cpp.o.d -o CMakeFiles/utility-test.dir/message_string_collector.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/message_string_collector.cpp
+/build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/testsystem.cpp: In function 'std::pair<float, float> gmx::test::{anonymous}::combineLJParams(real, real, real, real, gmx::LJCombinationRule)':
+/build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/testsystem.cpp:94:80: note: parameter passing for argument of type 'std::pair<float, float>' when C++17 is enabled changed to match C++14 in GCC 10.1
+   94 |                                       const LJCombinationRule ljCombinationRule)
+      |                                                                                ^
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/nbnxm-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/nbnxm-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/domdec/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/domdec-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/domdec-test.dir/link.d "CMakeFiles/domdec-test.dir/hashedmap.cpp.o" "CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o" "CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/domdec-test  ../../../../lib/libtestutils.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 66%] Built target domdec-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/parrinellorahman.cpp.o -MF CMakeFiles/mdlib-test.dir/parrinellorahman.cpp.o.d -o CMakeFiles/mdlib-test.dir/parrinellorahman.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/parrinellorahman.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/settle.cpp.o -MF CMakeFiles/mdlib-test.dir/settle.cpp.o.d -o CMakeFiles/mdlib-test.dir/settle.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/settle.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/domdec/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/domdec/tests/CMakeFiles/domdec-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/domdec-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/domdec-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/settletestdata.cpp.o -MF CMakeFiles/mdlib-test.dir/settletestdata.cpp.o.d -o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/settletestdata.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o -MF CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o.d -o CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/physicalnodecommunicator.cpp
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@@ -5833,34 +5876,25 @@
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 65%] Built target nbnxm-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/settletestdata.cpp.o -MF CMakeFiles/mdlib-test.dir/settletestdata.cpp.o.d -o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/settletestdata.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/domdec-test.dir/link.d "CMakeFiles/domdec-test.dir/hashedmap.cpp.o" "CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o" "CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/domdec-test  ../../../../lib/libtestutils.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/domdec/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/domdec-mpi-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/domdec-mpi-test.dir/link.d "CMakeFiles/domdec-mpi-test.dir/haloexchange_mpi.cpp.o" "CMakeFiles/domdec-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/domdec-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 66%] Built target domdec-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/path.cpp.o -MF CMakeFiles/utility-test.dir/path.cpp.o.d -o CMakeFiles/utility-test.dir/path.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/path.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o -MF CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o.d -o CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/physicalnodecommunicator.cpp
+[ 66%] Built target domdec-mpi-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_DYNAMIC_REGISTRATION=true -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/pmegathertest.cpp.o -MF CMakeFiles/ewald-test.dir/pmegathertest.cpp.o.d -o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/ewald/tests/pmegathertest.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/range.cpp.o -MF CMakeFiles/utility-test.dir/range.cpp.o.d -o CMakeFiles/utility-test.dir/range.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/range.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/scope_guard.cpp.o -MF CMakeFiles/utility-test.dir/scope_guard.cpp.o.d -o CMakeFiles/utility-test.dir/scope_guard.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/scope_guard.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/strconvert.cpp.o -MF CMakeFiles/utility-test.dir/strconvert.cpp.o.d -o CMakeFiles/utility-test.dir/strconvert.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/strconvert.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/nbnxm/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nbnxm-test.dir/link.txt --verbose=1
 /usr/bin/make  -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/fft/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fft/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fft/tests/CMakeFiles/fft-test.dir/DependInfo.cmake "--color="
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nbnxm-test.dir/link.d "CMakeFiles/nbnxm-test.dir/exclusions.cpp.o" "CMakeFiles/nbnxm-test.dir/kernel_test.cpp.o" "CMakeFiles/nbnxm-test.dir/kernelsetup.cpp.o" "CMakeFiles/nbnxm-test.dir/simd_energy_accumulator.cpp.o" "CMakeFiles/nbnxm-test.dir/testsystem.cpp.o" "CMakeFiles/nbnxm-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/nbnxm-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/domdec/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/domdec-mpi-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/domdec-mpi-test.dir/link.d "CMakeFiles/domdec-mpi-test.dir/haloexchange_mpi.cpp.o" "CMakeFiles/domdec-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/domdec-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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-[ 66%] Built target domdec-mpi-test
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 /usr/bin/make  -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/gpu_utils/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gpu_utils/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/DependInfo.cmake "--color="
@@ -5868,11 +5902,10 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/hardware/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/hardware/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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@@ -5902,32 +5923,15 @@
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fft/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fft-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fft-test.dir/link.d "CMakeFiles/fft-test.dir/fft.cpp.o" "CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/fft-test  ../../../../lib/libtestutils.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 66%] Built target fft-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 66%] Built target hardware-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdspan/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdspan/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/DependInfo.cmake "--color="
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 /usr/bin/make  -f src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build.make src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdspan/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o -MF CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o.d -o CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdspan/tests/accessor_policy.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 66%] Built target fft-test
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 [ 67%] Built target ewald-test
@@ -5961,14 +5984,8 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdtypes/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdtypes/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdtypes/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdtypes/tests/CMakeFiles/mdtypes-test.dir/enerdata.cpp.o -MF CMakeFiles/mdtypes-test.dir/enerdata.cpp.o.d -o CMakeFiles/mdtypes-test.dir/enerdata.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdtypes/tests/enerdata.cpp
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 70%] Built target mdlib-test
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/matrix.cpp.o -MF CMakeFiles/math-test.dir/matrix.cpp.o.d -o CMakeFiles/math-test.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/math/tests/matrix.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/updategroups.cpp.o -MF CMakeFiles/mdlib-test.dir/updategroups.cpp.o.d -o CMakeFiles/mdlib-test.dir/updategroups.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/updategroups.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdspan/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/mdspan.cpp.o -MF CMakeFiles/mdspan-test.dir/mdspan.cpp.o.d -o CMakeFiles/mdspan-test.dir/mdspan.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdspan/tests/mdspan.cpp
 /usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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@@ -5976,28 +5993,56 @@
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/cmake -P CMakeFiles/mdrunutility-test-shared.dir/cmake_clean_target.cmake
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/textreader.cpp.o -MF CMakeFiles/utility-test.dir/textreader.cpp.o.d -o CMakeFiles/utility-test.dir/textreader.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/textreader.cpp
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-/usr/bin/ar qc ../../../../lib/libmdrunutility-test-shared.a "CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o" "CMakeFiles/mdrunutility-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o"
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o -MF CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o.d -o CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests/abstractoptionstorage.cpp
-[ 70%] Built target mdrunutility-test-shared
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 71%] Built target utility-test
+[ 67%] Built target mdspan-test
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/onlinehelp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 69%] Built target onlinehelp-test
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gpu_utils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gpu_utils-test.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 70%] Built target gpu_utils-test
 /usr/bin/make  -f src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build.make src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/depend
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 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pbcutil/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pbcutil/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pbcutil/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/com.cpp.o -MF CMakeFiles/pbcutil-test.dir/com.cpp.o.d -o CMakeFiles/pbcutil-test.dir/com.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/tests/com.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdtypes/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdtypes/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdtypes/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdtypes/tests/CMakeFiles/mdtypes-test.dir/forcebuffers.cpp.o -MF CMakeFiles/mdtypes-test.dir/forcebuffers.cpp.o.d -o CMakeFiles/mdtypes-test.dir/forcebuffers.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdtypes/tests/forcebuffers.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/filenameoption.cpp.o -MF CMakeFiles/options-test.dir/filenameoption.cpp.o.d -o CMakeFiles/options-test.dir/filenameoption.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests/filenameoption.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdspan/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/mdspan.cpp.o -MF CMakeFiles/mdspan-test.dir/mdspan.cpp.o.d -o CMakeFiles/mdspan-test.dir/mdspan.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdspan/tests/mdspan.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gpu_utils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gpu_utils-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gpu_utils-test.dir/link.d "CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o" "CMakeFiles/gpu_utils-test.dir/device_availability.cpp.o" "CMakeFiles/gpu_utils-test.dir/device_stream_manager.cpp.o" "CMakeFiles/gpu_utils-test.dir/pinnedmemorychecker.cpp.o" "CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o" "CMakeFiles/gpu_utils-test.dir/device_buffer.cpp.o" "CMakeFiles/gpu_utils-test.dir/gpueventsynchronizer.cpp.o" "CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o" "CMakeFiles/gpu_utils-test.dir/typecasts.cpp.o" "CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/gpu_utils-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 73%] Built target gpu_utils-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o -MF CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o.d -o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests/filenameoptionmanager.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/option.cpp.o -MF CMakeFiles/options-test.dir/option.cpp.o.d -o CMakeFiles/options-test.dir/option.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests/option.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/onlinehelp-test.dir/link.d "CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o" "CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o" "CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o" "CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/onlinehelp-test  ../../../../lib/libtestutils.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 74%] Built target onlinehelp-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdtypes/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdtypes/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdtypes/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdtypes/tests/CMakeFiles/mdtypes-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdtypes-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdtypes-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-test.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 74%] Built target mdlib-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/restraint/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/restraint/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/DependInfo.cmake "--color="
@@ -6039,48 +6083,49 @@
 /usr/bin/make  -f src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build.make src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/restraint/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/restraint/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/manager.cpp.o -MF CMakeFiles/restraintpotential-test.dir/manager.cpp.o.d -o CMakeFiles/restraintpotential-test.dir/manager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/restraint/tests/manager.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdspan/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdspan-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdspan-test.dir/link.d "CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o" "CMakeFiles/mdspan-test.dir/extents.cpp.o" "CMakeFiles/mdspan-test.dir/extensions.cpp.o" "CMakeFiles/mdspan-test.dir/layouts.cpp.o" "CMakeFiles/mdspan-test.dir/mdspan.cpp.o" "CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/mdspan-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 74%] Built target mdspan-test
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/restraint/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/restraint/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdtypes/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdtypes/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdtypes/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdtypes/tests/CMakeFiles/mdtypes-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdtypes-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdtypes-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/restraint/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/restraintpotential-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/restraintpotential-test.dir/link.d "CMakeFiles/restraintpotential-test.dir/manager.cpp.o" "CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/restraintpotential-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdtypes-test.dir/link.d "CMakeFiles/mdtypes-test.dir/enerdata.cpp.o" "CMakeFiles/mdtypes-test.dir/observablesreducer.cpp.o" "CMakeFiles/mdtypes-test.dir/checkpointdata.cpp.o" "CMakeFiles/mdtypes-test.dir/forcebuffers.cpp.o" "CMakeFiles/mdtypes-test.dir/multipletimestepping.cpp.o" "CMakeFiles/mdtypes-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/mdtypes-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 75%] Built target restraintpotential-test
+[ 75%] Built target mdtypes-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/seed.cpp.o -MF CMakeFiles/random-test.dir/seed.cpp.o.d -o CMakeFiles/random-test.dir/seed.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/random/tests/seed.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pbcutil/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pbcutil/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o -MF CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o.d -o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/random/tests/tabulatednormaldistribution.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/restraint/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/restraintpotential-test.dir/link.txt --verbose=1
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/tables/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tables/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tables/tests/CMakeFiles/table-test.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/normaldistribution.cpp.o -MF CMakeFiles/random-test.dir/normaldistribution.cpp.o.d -o CMakeFiles/random-test.dir/normaldistribution.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/random/tests/normaldistribution.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 /usr/bin/make  -f src/gromacs/tables/tests/CMakeFiles/table-test.dir/build.make src/gromacs/tables/tests/CMakeFiles/table-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tables/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tables/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/tables/tests/CMakeFiles/table-test.dir/splinetable.cpp.o -MF CMakeFiles/table-test.dir/splinetable.cpp.o.d -o CMakeFiles/table-test.dir/splinetable.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/tables/tests/splinetable.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 76%] Built target restraintpotential-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/optimization.cpp.o -MF CMakeFiles/math-test.dir/optimization.cpp.o.d -o CMakeFiles/math-test.dir/optimization.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/math/tests/optimization.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 76%] Built target pbcutil-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o -MF CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o.d -o CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/random/tests/uniformrealdistribution.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pbcutil/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pbcutil/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o -MF CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o.d -o CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/tests/pbcenums.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/seed.cpp.o -MF CMakeFiles/random-test.dir/seed.cpp.o.d -o CMakeFiles/random-test.dir/seed.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/random/tests/seed.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/taskassignment/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/taskassignment/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/taskassignment/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o -MF CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o.d -o CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/tests/usergpuids.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tables/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tables/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/tables/tests/CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pbcutil/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pbcutil/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o -MF CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o.d -o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/random/tests/tabulatednormaldistribution.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/taskassignment/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/taskassignment/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pbcutil/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pbcutil-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdtypes/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdtypes-test.dir/link.txt --verbose=1
 /usr/bin/make  -f src/gromacs/timing/tests/CMakeFiles/timing-test.dir/build.make src/gromacs/timing/tests/CMakeFiles/timing-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/timing/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/timing/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/timing/tests/CMakeFiles/timing-test.dir/DependInfo.cmake "--color="
@@ -6088,25 +6133,16 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/timing/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/timing/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/timing/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/timing/tests/CMakeFiles/timing-test.dir/timing.cpp.o -MF CMakeFiles/timing-test.dir/timing.cpp.o.d -o CMakeFiles/timing-test.dir/timing.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/timing/tests/timing.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pbcutil-test.dir/link.d "CMakeFiles/pbcutil-test.dir/com.cpp.o" "CMakeFiles/pbcutil-test.dir/mshift.cpp.o" "CMakeFiles/pbcutil-test.dir/pbc.cpp.o" "CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o" "CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/pbcutil-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 75%] Built target pbcutil-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/threefry.cpp.o -MF CMakeFiles/random-test.dir/threefry.cpp.o.d -o CMakeFiles/random-test.dir/threefry.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/random/tests/threefry.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/timing/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/timing/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/timing/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/timing/tests/CMakeFiles/timing-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/timing-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/timing-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdtypes-test.dir/link.d "CMakeFiles/mdtypes-test.dir/enerdata.cpp.o" "CMakeFiles/mdtypes-test.dir/observablesreducer.cpp.o" "CMakeFiles/mdtypes-test.dir/checkpointdata.cpp.o" "CMakeFiles/mdtypes-test.dir/forcebuffers.cpp.o" "CMakeFiles/mdtypes-test.dir/multipletimestepping.cpp.o" "CMakeFiles/mdtypes-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/mdtypes-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 76%] Built target mdtypes-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/uniformintdistribution.cpp.o -MF CMakeFiles/random-test.dir/uniformintdistribution.cpp.o.d -o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/random/tests/uniformintdistribution.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o -MF CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o.d -o CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/random/tests/uniformrealdistribution.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/taskassignment/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/taskassignment/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/topology/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/topology/tests/CMakeFiles/topology-test.dir/atoms.cpp.o -MF CMakeFiles/topology-test.dir/atoms.cpp.o.d -o CMakeFiles/topology-test.dir/atoms.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/topology/tests/atoms.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/taskassignment/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/taskassignment-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/timing/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/timing/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/timing/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/timing/tests/CMakeFiles/timing-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/timing-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/timing-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/topology/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/topology/tests/CMakeFiles/topology-test.dir/exclusionblocks.cpp.o -MF CMakeFiles/topology-test.dir/exclusionblocks.cpp.o.d -o CMakeFiles/topology-test.dir/exclusionblocks.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/topology/tests/exclusionblocks.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pulling/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/DependInfo.cmake "--color="
@@ -6114,9 +6150,7 @@
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pulling/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pulling/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/pull.cpp.o -MF CMakeFiles/pull-test.dir/pull.cpp.o.d -o CMakeFiles/pull-test.dir/pull.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/tests/pull.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/taskassignment-test.dir/link.d "CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o" "CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../CMakeFiles/taskassignment.dir/decidegpuusage.cpp.o ../CMakeFiles/taskassignment.dir/decidesimulationworkload.cpp.o ../CMakeFiles/taskassignment.dir/findallgputasks.cpp.o ../CMakeFiles/taskassignment.dir/reportgpuusage.cpp.o ../CMakeFiles/taskassignment.dir/resourcedivision.cpp.o ../CMakeFiles/taskassignment.dir/taskassignment.cpp.o ../CMakeFiles/taskassignment.dir/usergpuids.cpp.o -o ../../../../bin/taskassignment-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm ../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 76%] Built target taskassignment-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/topology/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/topology/tests/CMakeFiles/topology-test.dir/idef.cpp.o -MF CMakeFiles/topology-test.dir/idef.cpp.o.d -o CMakeFiles/topology-test.dir/idef.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/topology/tests/idef.cpp
 /usr/bin/make  -f src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build.make src/gromacs/simd/tests/CMakeFiles/simd-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests/CMakeFiles/simd-test.dir/DependInfo.cmake "--color="
@@ -6125,9 +6159,15 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/base.cpp.o -MF CMakeFiles/simd-test.dir/base.cpp.o.d -o CMakeFiles/simd-test.dir/base.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/base.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/timing/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/timing-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/random/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/random-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/timing-test.dir/link.d "CMakeFiles/timing-test.dir/timing.cpp.o" "CMakeFiles/timing-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/timing-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 [ 76%] Built target timing-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pulling/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/pulling/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/topology/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/topology/tests/CMakeFiles/topology-test.dir/index.cpp.o -MF CMakeFiles/topology-test.dir/index.cpp.o.d -o CMakeFiles/topology-test.dir/index.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/topology/tests/index.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/random-test.dir/link.d "CMakeFiles/random-test.dir/exponentialdistribution.cpp.o" "CMakeFiles/random-test.dir/gammadistribution.cpp.o" "CMakeFiles/random-test.dir/normaldistribution.cpp.o" "CMakeFiles/random-test.dir/seed.cpp.o" "CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o" "CMakeFiles/random-test.dir/threefry.cpp.o" "CMakeFiles/random-test.dir/uniformintdistribution.cpp.o" "CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o" "CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/random-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 76%] Built target random-test
 /usr/bin/make  -f src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build.make src/gromacs/compat/tests/CMakeFiles/compat-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/compat/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/compat/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/compat/tests/CMakeFiles/compat-test.dir/DependInfo.cmake "--color="
@@ -6135,6 +6175,7 @@
 /usr/bin/make  -f src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build.make src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/compat/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/compat/tests/CMakeFiles/compat-test.dir/mp11.cpp.o -MF CMakeFiles/compat-test.dir/mp11.cpp.o.d -o CMakeFiles/compat-test.dir/mp11.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/compat/tests/mp11.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o -MF CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o.d -o CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/bootstrap_loadstore.cpp
 /usr/bin/make  -f src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/build.make src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxana/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxana/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/DependInfo.cmake "--color="
@@ -6142,33 +6183,51 @@
 /usr/bin/make  -f src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/build.make src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxana/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/entropy.cpp.o -MF CMakeFiles/gmxana-test.dir/entropy.cpp.o.d -o CMakeFiles/gmxana-test.dir/entropy.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxana/tests/entropy.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 76%] Built target random-test
+[ 76%] Built target taskassignment-test
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/scalar_math.cpp.o -MF CMakeFiles/simd-test.dir/scalar_math.cpp.o.d -o CMakeFiles/simd-test.dir/scalar_math.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/scalar_math.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 76%] Built target pull-test
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/compat/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/compat-test.dir/link.txt --verbose=1
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/convparm.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/convparm.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/convparm.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/convparm.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 76%] Built target compat-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd.cpp.o -MF CMakeFiles/simd-test.dir/simd.cpp.o.d -o CMakeFiles/simd-test.dir/simd.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 [ 78%] Built target options-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxana/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tables/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/table-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/topology/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/topology/tests/CMakeFiles/topology-test.dir/topsort.cpp.o -MF CMakeFiles/topology-test.dir/topsort.cpp.o.d -o CMakeFiles/topology-test.dir/topsort.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/topology/tests/topsort.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 78%] Built target table-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o -MF CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o.d -o CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_floatingpoint.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd_integer.cpp.o -MF CMakeFiles/simd-test.dir/simd_integer.cpp.o.d -o CMakeFiles/simd-test.dir/simd_integer.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_integer.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/topology/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/topology/tests/CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd_math.cpp.o -MF CMakeFiles/simd-test.dir/simd_math.cpp.o.d -o CMakeFiles/simd-test.dir/simd_math.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_math.cpp
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/DependInfo.cmake "--color="
@@ -6176,20 +6235,24 @@
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=0 -DGROMOS=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DOPLSAA=1 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/pdb2gmx.cpp.o -MF CMakeFiles/pdb2gmx1-test.dir/pdb2gmx.cpp.o.d -o CMakeFiles/pdb2gmx1-test.dir/pdb2gmx.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pull-test.dir/link.d "CMakeFiles/pull-test.dir/pull.cpp.o" "CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../CMakeFiles/pulling.dir/output.cpp.o ../CMakeFiles/pulling.dir/pull.cpp.o ../CMakeFiles/pulling.dir/pull_rotation.cpp.o ../CMakeFiles/pulling.dir/pullcoordexpressionparser.cpp.o ../CMakeFiles/pulling.dir/pullutil.cpp.o ../CMakeFiles/pulling.dir/transformationcoordinate.cpp.o -o ../../../../bin/pull-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm ../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 78%] Built target pull-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxana/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/compat/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/compat-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=0 -DGROMOS=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DOPLSAA=1 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/compat-test.dir/link.d "CMakeFiles/compat-test.dir/mp11.cpp.o" "CMakeFiles/compat-test.dir/pointers.cpp.o" "CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/compat-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 78%] Built target compat-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/topology/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/topology/tests/CMakeFiles/topology-test.dir/idef.cpp.o -MF CMakeFiles/topology-test.dir/idef.cpp.o.d -o CMakeFiles/topology-test.dir/idef.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/topology/tests/idef.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxana/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxana-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd_memory.cpp.o -MF CMakeFiles/simd-test.dir/simd_memory.cpp.o.d -o CMakeFiles/simd-test.dir/simd_memory.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_memory.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gmxana-test.dir/link.d "CMakeFiles/gmxana-test.dir/entropy.cpp.o" "CMakeFiles/gmxana-test.dir/gmx_chi.cpp.o" "CMakeFiles/gmxana-test.dir/gmx_mindist.cpp.o" "CMakeFiles/gmxana-test.dir/gmx_traj.cpp.o" "CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/gmxana-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 [ 78%] Built target gmxana-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/editconf.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/editconf.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/editconf.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/editconf.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=0 -DGROMOS=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DOPLSAA=1 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_math.cpp: In static member function 'static std::vector<float, std::allocator<float> > gmx::test::SimdMathTest::generateTestPoints(Range, std::size_t)':
+/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_math.cpp:182:19: note: parameter passing for argument of type 'std::pair<float, float>' when C++17 is enabled changed to match C++14 in GCC 10.1
+  182 | std::vector<real> SimdMathTest::generateTestPoints(Range inputRange, std::size_t inputPoints)
+      |                   ^~~~~~~~~~~~
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o -MF CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o.d -o CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_vector_operations.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/genconf.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/genconf.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/genconf.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/genconf.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/topology/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/topology-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/genion.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/topology-test.dir/link.d "CMakeFiles/topology-test.dir/atoms.cpp.o" "CMakeFiles/topology-test.dir/exclusionblocks.cpp.o" "CMakeFiles/topology-test.dir/idef.cpp.o" "CMakeFiles/topology-test.dir/index.cpp.o" "CMakeFiles/topology-test.dir/mtop.cpp.o" "CMakeFiles/topology-test.dir/symtab.cpp.o" "CMakeFiles/topology-test.dir/topsort.cpp.o" "CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/topology-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 79%] Built target topology-test
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/DependInfo.cmake "--color="
@@ -6197,7 +6260,7 @@
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=0 -DGROMOS=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o -MF CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o.d -o CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/editconf.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/editconf.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/editconf.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/editconf.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/genrestr.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/genrestr.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/genrestr.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/genrestr.cpp
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/DependInfo.cmake "--color="
@@ -6205,7 +6268,8 @@
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=1 -DCHARMM=1 -DGMX_DOUBLE=0 -DGROMOS=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/pdb2gmx.cpp.o -MF CMakeFiles/pdb2gmx3-test.dir/pdb2gmx.cpp.o.d -o CMakeFiles/pdb2gmx3-test.dir/pdb2gmx.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tables/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/table-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/gen_maxwell_velocities.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/gen_maxwell_velocities.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/gen_maxwell_velocities.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/gen_maxwell_velocities.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=0 -DGROMOS=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/pdb2gmx2-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/pdb2gmx2-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/correlationfunctions/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/correlationfunctions/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/DependInfo.cmake "--color="
@@ -6213,17 +6277,16 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/autocorr.cpp.o -MF CMakeFiles/correlations-test.dir/autocorr.cpp.o.d -o CMakeFiles/correlations-test.dir/autocorr.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/correlationfunctions/tests/autocorr.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/table-test.dir/link.d "CMakeFiles/table-test.dir/splinetable.cpp.o" "CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/table-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 78%] Built target table-test
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 79%] Built target pdb2gmx1-test
 /usr/bin/make  -f src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/build.make src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/analysisdata/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/analysisdata/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/datatest.cpp.o -MF CMakeFiles/analysisdata-test-shared.dir/datatest.cpp.o.d -o CMakeFiles/analysisdata-test-shared.dir/datatest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/analysisdata/tests/datatest.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/analysisdata-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/analysisdata-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx1-test.dir/link.txt --verbose=1
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 78%] Built target pdb2gmx1-test
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/manyautocorrelation.cpp.o -MF CMakeFiles/correlations-test.dir/manyautocorrelation.cpp.o.d -o CMakeFiles/correlations-test.dir/manyautocorrelation.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/correlationfunctions/tests/manyautocorrelation.cpp
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 /usr/bin/make  -f src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/build.make src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/DependInfo.cmake "--color="
@@ -6250,35 +6308,24 @@
 /usr/bin/make  -f src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/build.make src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/builder.cpp.o -MF CMakeFiles/coordinateio-test.dir/builder.cpp.o.d -o CMakeFiles/coordinateio-test.dir/builder.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/builder.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/gen_maxwell_velocities.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/gen_maxwell_velocities.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/gen_maxwell_velocities.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/gen_maxwell_velocities.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o -MF CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o.d -o CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_floatingpoint_util.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx2-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pdb2gmx2-test.dir/link.d "CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o" "CMakeFiles/pdb2gmx2-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/pdb2gmx2-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 78%] Built target pdb2gmx2-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd_integer.cpp.o -MF CMakeFiles/simd-test.dir/simd_integer.cpp.o.d -o CMakeFiles/simd-test.dir/simd_integer.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_integer.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/gpp_atomtype.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/gpp_atomtype.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/gpp_atomtype.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/gpp_atomtype.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/correlations-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/correlations-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx3-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pdb2gmx3-test.dir/link.d "CMakeFiles/pdb2gmx3-test.dir/pdb2gmx.cpp.o" "CMakeFiles/pdb2gmx3-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/pdb2gmx3-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pdb2gmx2-test.dir/link.d "CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o" "CMakeFiles/pdb2gmx2-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/pdb2gmx2-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 79%] Built target pdb2gmx3-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/topology/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/topology/tests/CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+[ 79%] Built target pdb2gmx2-test
 /usr/bin/make  -f src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/build.make src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o -MF CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o.d -o CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/outputadaptercontainer.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/correlationfunctions/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/correlations-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/correlations-test.dir/link.d "CMakeFiles/correlations-test.dir/autocorr.cpp.o" "CMakeFiles/correlations-test.dir/correlationdataset.cpp.o" "CMakeFiles/correlations-test.dir/expfit.cpp.o" "CMakeFiles/correlations-test.dir/manyautocorrelation.cpp.o" "CMakeFiles/correlations-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/correlations-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o -MF CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o.d -o CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/outputadaptercontainer.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/energyanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/energyanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/energyanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/legacyenergy.cpp.o -MF CMakeFiles/energyanalysis-test.dir/legacyenergy.cpp.o.d -o CMakeFiles/energyanalysis-test.dir/legacyenergy.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/tests/legacyenergy.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/simd-test.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 80%] Built target simd-test
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@@ -6286,18 +6333,14 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/grompp_directives.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/grompp_directives.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/grompp_directives.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/grompp_directives.cpp
-/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_math.cpp: In static member function 'static std::vector<float, std::allocator<float> > gmx::test::SimdMathTest::generateTestPoints(Range, std::size_t)':
-/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_math.cpp:182:19: note: parameter passing for argument of type 'std::pair<float, float>' when C++17 is enabled changed to match C++14 in GCC 10.1
-  182 | std::vector<real> SimdMathTest::generateTestPoints(Range inputRange, std::size_t inputPoints)
-      |                   ^~~~~~~~~~~~
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/outputadapters.cpp.o -MF CMakeFiles/coordinateio-test.dir/outputadapters.cpp.o.d -o CMakeFiles/coordinateio-test.dir/outputadapters.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/outputadapters.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/topology/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/topology-test.dir/link.txt --verbose=1
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/register.cpp.o -MF CMakeFiles/coordinateio-test.dir/register.cpp.o.d -o CMakeFiles/coordinateio-test.dir/register.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/register.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx3-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/math/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/math-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/correlations-test.dir/link.d "CMakeFiles/correlations-test.dir/autocorr.cpp.o" "CMakeFiles/correlations-test.dir/correlationdataset.cpp.o" "CMakeFiles/correlations-test.dir/expfit.cpp.o" "CMakeFiles/correlations-test.dir/manyautocorrelation.cpp.o" "CMakeFiles/correlations-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/correlations-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 82%] Built target math-test
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@@ -6305,40 +6348,15 @@
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/tools/tests/CMakeFiles/tool-test-with-leaks.dir/convert-tpr-with-leaks.cpp.o -MF CMakeFiles/tool-test-with-leaks.dir/convert-tpr-with-leaks.cpp.o.d -o CMakeFiles/tool-test-with-leaks.dir/convert-tpr-with-leaks.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/tools/tests/convert-tpr-with-leaks.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/topology-test.dir/link.d "CMakeFiles/topology-test.dir/atoms.cpp.o" "CMakeFiles/topology-test.dir/exclusionblocks.cpp.o" "CMakeFiles/topology-test.dir/idef.cpp.o" "CMakeFiles/topology-test.dir/index.cpp.o" "CMakeFiles/topology-test.dir/mtop.cpp.o" "CMakeFiles/topology-test.dir/symtab.cpp.o" "CMakeFiles/topology-test.dir/topsort.cpp.o" "CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/topology-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/grompp_directives.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/grompp_directives.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/grompp_directives.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/grompp_directives.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pdb2gmx3-test.dir/link.d "CMakeFiles/pdb2gmx3-test.dir/pdb2gmx.cpp.o" "CMakeFiles/pdb2gmx3-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/pdb2gmx3-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 83%] Built target topology-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/register.cpp.o -MF CMakeFiles/coordinateio-test.dir/register.cpp.o.d -o CMakeFiles/coordinateio-test.dir/register.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/register.cpp
+[ 83%] Built target pdb2gmx3-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/energyanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/energyanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/energyanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/energyanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/energyanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/insert_molecules.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/insert_molecules.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/insert_molecules.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/insert_molecules.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/tools/tests/CMakeFiles/tool-test.dir/make_ndx.cpp.o -MF CMakeFiles/tool-test.dir/make_ndx.cpp.o.d -o CMakeFiles/tool-test.dir/make_ndx.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/tools/tests/make_ndx.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd_memory.cpp.o -MF CMakeFiles/simd-test.dir/simd_memory.cpp.o.d -o CMakeFiles/simd-test.dir/simd_memory.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_memory.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/massrepartitioning.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/massrepartitioning.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/massrepartitioning.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/massrepartitioning.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/energyanalysis/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/energyanalysis-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/tools/tests/CMakeFiles/tool-test-with-leaks.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/tool-test-with-leaks.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/tool-test-with-leaks.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/tools/tests/CMakeFiles/tool-test.dir/report_methods.cpp.o -MF CMakeFiles/tool-test.dir/report_methods.cpp.o.d -o CMakeFiles/tool-test.dir/report_methods.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/tools/tests/report_methods.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/energyanalysis-test.dir/link.d "CMakeFiles/energyanalysis-test.dir/energyterm.cpp.o" "CMakeFiles/energyanalysis-test.dir/legacyenergy.cpp.o" "CMakeFiles/energyanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/energyanalysis-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 83%] Built target energyanalysis-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/tools/tests/CMakeFiles/tool-test.dir/trjconv.cpp.o -MF CMakeFiles/tool-test.dir/trjconv.cpp.o.d -o CMakeFiles/tool-test.dir/trjconv.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/tools/tests/trjconv.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o -MF CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o.d -o CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_vector_operations.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/readir.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/readir.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/readir.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/readir.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/requirements.cpp.o -MF CMakeFiles/coordinateio-test.dir/requirements.cpp.o.d -o CMakeFiles/coordinateio-test.dir/requirements.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/requirements.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/tool-test-with-leaks.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/analysisdata/tests && /usr/bin/cmake -P CMakeFiles/analysisdata-test-shared.dir/cmake_clean_target.cmake
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/analysisdata/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/analysisdata-test-shared.dir/link.txt --verbose=1
-/usr/bin/ar qc ../../../../lib/libanalysisdata-test-shared.a "CMakeFiles/analysisdata-test-shared.dir/datatest.cpp.o" "CMakeFiles/analysisdata-test-shared.dir/mock_datamodule.cpp.o" "CMakeFiles/analysisdata-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o"
-/usr/bin/ranlib ../../../../lib/libanalysisdata-test-shared.a
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 83%] Built target analysisdata-test-shared
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/setatoms.cpp.o -MF CMakeFiles/coordinateio-test.dir/setatoms.cpp.o.d -o CMakeFiles/coordinateio-test.dir/setatoms.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/setatoms.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/tools/tests/CMakeFiles/tool-test.dir/helpwriting.cpp.o -MF CMakeFiles/tool-test.dir/helpwriting.cpp.o.d -o CMakeFiles/tool-test.dir/helpwriting.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/tools/tests/helpwriting.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 83%] Built target tool-test-with-leaks
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd4.cpp.o -MF CMakeFiles/simd-test.dir/simd4.cpp.o.d -o CMakeFiles/simd-test.dir/simd4.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd4.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/solvate.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/solvate.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/solvate.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/solvate.cpp
+[ 84%] Built target math-test
 /usr/bin/make  -f src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build.make src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/DependInfo.cmake "--color="
@@ -6346,13 +6364,11 @@
 /usr/bin/make  -f src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build.make src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/energyanalysis/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/energyanalysis-test.dir/link.txt --verbose=1
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/selection/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/selection/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/selection/tests/CMakeFiles/selection-test.dir/DependInfo.cmake "--color="
@@ -6360,8 +6376,12 @@
 /usr/bin/make  -f src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build.make src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/selection/tests/CMakeFiles/selection-test.dir/indexutil.cpp.o -MF CMakeFiles/selection-test.dir/indexutil.cpp.o.d -o CMakeFiles/selection-test.dir/indexutil.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/selection/tests/indexutil.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/setbothtime.cpp.o -MF CMakeFiles/coordinateio-test.dir/setbothtime.cpp.o.d -o CMakeFiles/coordinateio-test.dir/setbothtime.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/setbothtime.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/energyanalysis-test.dir/link.d "CMakeFiles/energyanalysis-test.dir/energyterm.cpp.o" "CMakeFiles/energyanalysis-test.dir/legacyenergy.cpp.o" "CMakeFiles/energyanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/energyanalysis-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 84%] Built target energyanalysis-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/selection/tests/CMakeFiles/selection-test.dir/nbsearch.cpp.o -MF CMakeFiles/selection-test.dir/nbsearch.cpp.o.d -o CMakeFiles/selection-test.dir/nbsearch.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/selection/tests/nbsearch.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/filemd5.cpp.o -MF CMakeFiles/fileio-test.dir/filemd5.cpp.o.d -o CMakeFiles/fileio-test.dir/filemd5.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/tests/filemd5.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/massrepartitioning.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/massrepartitioning.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/massrepartitioning.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/massrepartitioning.cpp
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/DependInfo.cmake "--color="
@@ -6369,17 +6389,19 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/compressed_x_output.cpp.o -MF CMakeFiles/mdrun-output-test.dir/compressed_x_output.cpp.o.d -o CMakeFiles/mdrun-output-test.dir/compressed_x_output.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/compressed_x_output.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxpreprocess-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/tool-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/selection/tests/CMakeFiles/selection-test.dir/nbsearch.cpp.o -MF CMakeFiles/selection-test.dir/nbsearch.cpp.o.d -o CMakeFiles/selection-test.dir/nbsearch.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/selection/tests/nbsearch.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gmxpreprocess-test.dir/link.d "CMakeFiles/gmxpreprocess-test.dir/convparm.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/editconf.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/genconf.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/genrestr.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/gen_maxwell_velocities.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/gpp_atomtype.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/gpp_bond_atomtype.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/grompp_directives.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/insert_molecules.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/massrepartitioning.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/readir.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/solvate.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/topdirs.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/gmxpreprocess-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 84%] Built target gmxpreprocess-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/setstarttime.cpp.o -MF CMakeFiles/coordinateio-test.dir/setstarttime.cpp.o.d -o CMakeFiles/coordinateio-test.dir/setstarttime.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/setstarttime.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 84%] Built target tool-test
+[ 84%] Built target tool-test-with-leaks
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/requirements.cpp.o -MF CMakeFiles/coordinateio-test.dir/requirements.cpp.o.d -o CMakeFiles/coordinateio-test.dir/requirements.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/requirements.cpp
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/DependInfo.cmake "--color="
@@ -6387,11 +6409,7 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/densityfittingmodule.cpp.o -MF CMakeFiles/mdrun-modules-test.dir/densityfittingmodule.cpp.o.d -o CMakeFiles/mdrun-modules-test.dir/densityfittingmodule.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/densityfittingmodule.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/interactiveMD.cpp.o -MF CMakeFiles/mdrun-modules-test.dir/interactiveMD.cpp.o.d -o CMakeFiles/mdrun-modules-test.dir/interactiveMD.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/interactiveMD.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/matio.cpp.o -MF CMakeFiles/fileio-test.dir/matio.cpp.o.d -o CMakeFiles/fileio-test.dir/matio.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/tests/matio.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/settimestep.cpp.o -MF CMakeFiles/coordinateio-test.dir/settimestep.cpp.o.d -o CMakeFiles/coordinateio-test.dir/settimestep.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/settimestep.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/helpwriting.cpp.o -MF CMakeFiles/mdrun-output-test.dir/helpwriting.cpp.o.d -o CMakeFiles/mdrun-output-test.dir/helpwriting.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/helpwriting.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/simd/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/simd-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/outputfiles.cpp.o -MF CMakeFiles/mdrun-output-test.dir/outputfiles.cpp.o.d -o CMakeFiles/mdrun-output-test.dir/outputfiles.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/outputfiles.cpp
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/DependInfo.cmake "--color="
@@ -6399,24 +6417,19 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 85%] Built target simd-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/outputfiles.cpp.o -MF CMakeFiles/mdrun-output-test.dir/outputfiles.cpp.o.d -o CMakeFiles/mdrun-output-test.dir/outputfiles.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/outputfiles.cpp
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 85%] Built target mdrun-modules-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/multiple_time_stepping.cpp.o -MF CMakeFiles/mdrun-test.dir/multiple_time_stepping.cpp.o.d -o CMakeFiles/mdrun-test.dir/multiple_time_stepping.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/multiple_time_stepping.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 84%] Built target tool-test
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxpreprocess-test.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 85%] Built target coordinateio-test
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+[ 85%] Built target gmxpreprocess-test
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 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/DependInfo.cmake "--color="
@@ -6441,13 +6466,17 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/dispersion_correction.cpp.o -MF CMakeFiles/mdrun-single-rank-algorithms-test.dir/dispersion_correction.cpp.o.d -o CMakeFiles/mdrun-single-rank-algorithms-test.dir/dispersion_correction.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/dispersion_correction.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-output-test.dir/link.txt --verbose=1
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o -MF CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o.d -o CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/tabulated_bonded_interactions.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/readinp.cpp.o -MF CMakeFiles/fileio-test.dir/readinp.cpp.o.d -o CMakeFiles/fileio-test.dir/readinp.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/tests/readinp.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-output-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-output-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/initialconstraints.cpp.o -MF CMakeFiles/mdrun-io-test.dir/initialconstraints.cpp.o.d -o CMakeFiles/mdrun-io-test.dir/initialconstraints.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/initialconstraints.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-modules-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-modules-test.dir/link.d "CMakeFiles/mdrun-modules-test.dir/densityfittingmodule.cpp.o" "CMakeFiles/mdrun-modules-test.dir/interactiveMD.cpp.o" "CMakeFiles/mdrun-modules-test.dir/mimic.cpp.o" "CMakeFiles/mdrun-modules-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-modules-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 87%] Built target mdrun-output-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/selection/tests/CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+[ 85%] Built target mdrun-modules-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/termination.cpp.o -MF CMakeFiles/mdrun-io-test.dir/termination.cpp.o.d -o CMakeFiles/mdrun-io-test.dir/termination.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/termination.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/ewaldsurfaceterm.cpp.o -MF CMakeFiles/mdrun-single-rank-algorithms-test.dir/ewaldsurfaceterm.cpp.o.d -o CMakeFiles/mdrun-single-rank-algorithms-test.dir/ewaldsurfaceterm.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/ewaldsurfaceterm.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-output-test.dir/link.txt --verbose=1
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/minimize-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/minimize-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
@@ -6456,6 +6485,10 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/minimize-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/minimize-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/minimize-test.dir/minimize.cpp.o -MF CMakeFiles/minimize-test.dir/minimize.cpp.o.d -o CMakeFiles/minimize-test.dir/minimize.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/minimize.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-output-test.dir/link.d "CMakeFiles/mdrun-output-test.dir/compressed_x_output.cpp.o" "CMakeFiles/mdrun-output-test.dir/helpwriting.cpp.o" "CMakeFiles/mdrun-output-test.dir/outputfiles.cpp.o" "CMakeFiles/mdrun-output-test.dir/trajectory_writing.cpp.o" "CMakeFiles/mdrun-output-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-output-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/testmodule.cpp.o -MF CMakeFiles/coordinateio-test.dir/testmodule.cpp.o.d -o CMakeFiles/coordinateio-test.dir/testmodule.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/testmodule.cpp
+[ 87%] Built target mdrun-output-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/DependInfo.cmake "--color="
@@ -6463,6 +6496,16 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/boxdeformation.cpp.o -MF CMakeFiles/mdrun-test.dir/boxdeformation.cpp.o.d -o CMakeFiles/mdrun-test.dir/boxdeformation.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/boxdeformation.cpp
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/DependInfo.cmake "--color="
@@ -6470,10 +6513,9 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o -MF CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o.d -o CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/tpitest.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/readinp.cpp.o -MF CMakeFiles/fileio-test.dir/readinp.cpp.o.d -o CMakeFiles/fileio-test.dir/readinp.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/tests/readinp.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/normalmodes.cpp.o -MF CMakeFiles/mdrun-non-integrator-test.dir/normalmodes.cpp.o.d -o CMakeFiles/mdrun-non-integrator-test.dir/normalmodes.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/normalmodes.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/timecontrol.cpp.o -MF CMakeFiles/fileio-test.dir/timecontrol.cpp.o.d -o CMakeFiles/fileio-test.dir/timecontrol.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/tests/timecontrol.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/coordinateio-test.dir/link.d "CMakeFiles/coordinateio-test.dir/builder.cpp.o" "CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o" "CMakeFiles/coordinateio-test.dir/outputadapters.cpp.o" "CMakeFiles/coordinateio-test.dir/register.cpp.o" "CMakeFiles/coordinateio-test.dir/requirements.cpp.o" "CMakeFiles/coordinateio-test.dir/setatoms.cpp.o" "CMakeFiles/coordinateio-test.dir/setbothtime.cpp.o" "CMakeFiles/coordinateio-test.dir/setstarttime.cpp.o" "CMakeFiles/coordinateio-test.dir/settimestep.cpp.o" "CMakeFiles/coordinateio-test.dir/testmodule.cpp.o" "CMakeFiles/coordinateio-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/coordinateio-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 87%] Built target coordinateio-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/DependInfo.cmake "--color="
@@ -6481,40 +6523,21 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/domain_decomposition.cpp.o -MF CMakeFiles/mdrun-mpi-test.dir/domain_decomposition.cpp.o.d -o CMakeFiles/mdrun-mpi-test.dir/domain_decomposition.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/domain_decomposition.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o -MF CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o.d -o CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/simple_mdrun.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o -MF CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o.d -o CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/tabulated_bonded_interactions.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/orires.cpp.o -MF CMakeFiles/mdrun-single-rank-algorithms-test.dir/orires.cpp.o.d -o CMakeFiles/mdrun-single-rank-algorithms-test.dir/orires.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/orires.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o -MF CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o.d -o CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/tests/fileioxdrserializer.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-tpi-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-tpi-test.dir/link.d "CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o" "CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-tpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 87%] Built target mdrun-tpi-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-single-rank-algorithms-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-single-rank-algorithms-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/tngio.cpp.o -MF CMakeFiles/fileio-test.dir/tngio.cpp.o.d -o CMakeFiles/fileio-test.dir/tngio.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/tests/tngio.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/xvgio.cpp.o -MF CMakeFiles/fileio-test.dir/xvgio.cpp.o.d -o CMakeFiles/fileio-test.dir/xvgio.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/tests/xvgio.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-io-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/freezegroups.cpp.o -MF CMakeFiles/mdrun-test.dir/freezegroups.cpp.o.d -o CMakeFiles/mdrun-test.dir/freezegroups.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/freezegroups.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/minimize-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/minimize-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/minimize-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-io-test.dir/link.d "CMakeFiles/mdrun-io-test.dir/checkpoint.cpp.o" "CMakeFiles/mdrun-io-test.dir/exactcontinuation.cpp.o" "CMakeFiles/mdrun-io-test.dir/grompp.cpp.o" "CMakeFiles/mdrun-io-test.dir/initialconstraints.cpp.o" "CMakeFiles/mdrun-io-test.dir/termination.cpp.o" "CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-io-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 [ 87%] Built target mdrun-io-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o -MF CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o.d -o CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/mimic.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-single-rank-algorithms-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-single-rank-algorithms-test.dir/link.d "CMakeFiles/mdrun-single-rank-algorithms-test.dir/dispersion_correction.cpp.o" "CMakeFiles/mdrun-single-rank-algorithms-test.dir/ewaldsurfaceterm.cpp.o" "CMakeFiles/mdrun-single-rank-algorithms-test.dir/orires.cpp.o" "CMakeFiles/mdrun-single-rank-algorithms-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-single-rank-algorithms-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 87%] Built target mdrun-single-rank-algorithms-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/constantacceleration.cpp.o -MF CMakeFiles/mdrun-test.dir/constantacceleration.cpp.o.d -o CMakeFiles/mdrun-test.dir/constantacceleration.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/constantacceleration.cpp
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 87%] Built target minimize-test
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/xvgio.cpp.o -MF CMakeFiles/fileio-test.dir/xvgio.cpp.o.d -o CMakeFiles/fileio-test.dir/xvgio.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/tests/xvgio.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 87%] Built target selection-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-test.dir/DependInfo.cmake "--color="
@@ -6522,6 +6545,23 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-test.dir/multisim.cpp.o -MF CMakeFiles/mdrun-multisim-test.dir/multisim.cpp.o.d -o CMakeFiles/mdrun-multisim-test.dir/multisim.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/multisim.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 87%] Built target minimize-test
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 87%] Built target mdrun-single-rank-algorithms-test
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-tpi-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-tpi-test.dir/link.d "CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o" "CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-tpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 87%] Built target mdrun-tpi-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-test.dir/DependInfo.cmake "--color="
@@ -6530,8 +6570,6 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-test.dir/multisimtest.cpp.o -MF CMakeFiles/mdrun-multisim-replex-test.dir/multisimtest.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-test.dir/multisimtest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/multisimtest.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-test.dir/multisimtest.cpp.o -MF CMakeFiles/mdrun-multisim-test.dir/multisimtest.cpp.o.d -o CMakeFiles/mdrun-multisim-test.dir/multisimtest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/multisimtest.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-test.dir/replicaexchange.cpp.o -MF CMakeFiles/mdrun-multisim-replex-test.dir/replicaexchange.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-test.dir/replicaexchange.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/replicaexchange.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/selection/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/selection-test.dir/link.txt --verbose=1
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/DependInfo.cmake "--color="
@@ -6539,15 +6577,13 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/multisimtest.cpp.o -MF CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/multisimtest.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/multisimtest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/multisimtest.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/selection-test.dir/link.d "CMakeFiles/selection-test.dir/indexutil.cpp.o" "CMakeFiles/selection-test.dir/nbsearch.cpp.o" "CMakeFiles/selection-test.dir/poscalc.cpp.o" "CMakeFiles/selection-test.dir/selectioncollection.cpp.o" "CMakeFiles/selection-test.dir/selectionoption.cpp.o" "CMakeFiles/selection-test.dir/toputils.cpp.o" "CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/selection-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 87%] Built target selection-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/replicaexchange_equivalence.cpp.o -MF CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/replicaexchange_equivalence.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/replicaexchange_equivalence.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/replicaexchange_equivalence.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-mpi-test.dir/link.d "CMakeFiles/mdrun-mpi-test.dir/domain_decomposition.cpp.o" "CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o" "CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-multisim-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-multisim-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-test.dir/replicaexchange.cpp.o -MF CMakeFiles/mdrun-multisim-replex-test.dir/replicaexchange.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-test.dir/replicaexchange.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/replicaexchange.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-multisim-replex-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-test.dir/link.d "CMakeFiles/mdrun-test.dir/multiple_time_stepping.cpp.o" "CMakeFiles/mdrun-test.dir/swapcoords.cpp.o" "CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o" "CMakeFiles/mdrun-test.dir/freezegroups.cpp.o" "CMakeFiles/mdrun-test.dir/constantacceleration.cpp.o" "CMakeFiles/mdrun-test.dir/boxdeformation.cpp.o" "CMakeFiles/mdrun-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 87%] Built target mdrun-mpi-test
+[ 88%] Built target mdrun-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/DependInfo.cmake "--color="
@@ -6555,20 +6591,22 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/pmetest.cpp.o -MF CMakeFiles/mdrun-mpi-pme-test.dir/pmetest.cpp.o.d -o CMakeFiles/mdrun-mpi-pme-test.dir/pmetest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/pmetest.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-multisim-replex-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-multisim-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-multisim-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-non-integrator-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-mpi-pme-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-mpi-pme-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/replicaexchange_equivalence.cpp.o -MF CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/replicaexchange_equivalence.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/replicaexchange_equivalence.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/replicaexchange_equivalence.cpp
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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-[ 87%] Built target mdrun-non-integrator-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o -MF CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o.d -o CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions_basic.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-mpi-pme-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-mpi-pme-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-mpi-test.dir/link.d "CMakeFiles/mdrun-mpi-test.dir/domain_decomposition.cpp.o" "CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o" "CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 88%] Built target mdrun-mpi-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/DependInfo.cmake "--color="
@@ -6576,6 +6614,7 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions.cpp.o -MF CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions.cpp.o.d -o CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o -MF CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o.d -o CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions_coupling.cpp
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/DependInfo.cmake "--color="
@@ -6583,40 +6622,29 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions.cpp.o -MF CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions.cpp.o.d -o CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-coordination-coupling-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-coordination-coupling-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-multisim-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileio-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-multisim-test.dir/link.d "CMakeFiles/mdrun-multisim-test.dir/multisim.cpp.o" "CMakeFiles/mdrun-multisim-test.dir/multisimtest.cpp.o" "CMakeFiles/mdrun-multisim-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-multisim-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 88%] Built target mdrun-multisim-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions_constraints.cpp.o -MF CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions_constraints.cpp.o.d -o CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions_constraints.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions_constraints.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fileio-test.dir/link.d "CMakeFiles/fileio-test.dir/checkpoint.cpp.o" "CMakeFiles/fileio-test.dir/confio.cpp.o" "CMakeFiles/fileio-test.dir/filemd5.cpp.o" "CMakeFiles/fileio-test.dir/filetypes.cpp.o" "CMakeFiles/fileio-test.dir/matio.cpp.o" "CMakeFiles/fileio-test.dir/mrcserializer.cpp.o" "CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o" "CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o" "CMakeFiles/fileio-test.dir/readinp.cpp.o" "CMakeFiles/fileio-test.dir/timecontrol.cpp.o" "CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o" "CMakeFiles/fileio-test.dir/tngio.cpp.o" "CMakeFiles/fileio-test.dir/xvgio.cpp.o" "CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/fileio-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 89%] Built target fileio-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-coordination-constraints-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-coordination-constraints-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-non-integrator-test.dir/link.txt --verbose=1
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-non-integrator-test.dir/link.d "CMakeFiles/mdrun-non-integrator-test.dir/nonbonded_bench.cpp.o" "CMakeFiles/mdrun-non-integrator-test.dir/normalmodes.cpp.o" "CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o" "CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o" "CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-non-integrator-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/expandedensemble.cpp.o -MF CMakeFiles/mdrun-fep-test.dir/expandedensemble.cpp.o.d -o CMakeFiles/mdrun-fep-test.dir/expandedensemble.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/expandedensemble.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/fileio/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileio-test.dir/link.txt --verbose=1
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 88%] Built target fileio-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o -MF CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o.d -o CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions_basic.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o -MF CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o.d -o CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions_coupling.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-multisim-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-multisim-test.dir/link.d "CMakeFiles/mdrun-multisim-test.dir/multisim.cpp.o" "CMakeFiles/mdrun-multisim-test.dir/multisimtest.cpp.o" "CMakeFiles/mdrun-multisim-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-multisim-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-test.dir/link.d "CMakeFiles/mdrun-test.dir/multiple_time_stepping.cpp.o" "CMakeFiles/mdrun-test.dir/swapcoords.cpp.o" "CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o" "CMakeFiles/mdrun-test.dir/freezegroups.cpp.o" "CMakeFiles/mdrun-test.dir/constantacceleration.cpp.o" "CMakeFiles/mdrun-test.dir/boxdeformation.cpp.o" "CMakeFiles/mdrun-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 88%] Built target mdrun-multisim-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-[ 89%] Built target mdrun-test
+[ 89%] Built target mdrun-non-integrator-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/freeenergy.cpp.o -MF CMakeFiles/mdrun-fep-test.dir/freeenergy.cpp.o.d -o CMakeFiles/mdrun-fep-test.dir/freeenergy.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/freeenergy.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-multisim-replex-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-multisim-replex-test.dir/link.d "CMakeFiles/mdrun-multisim-replex-test.dir/multisimtest.cpp.o" "CMakeFiles/mdrun-multisim-replex-test.dir/replicaexchange.cpp.o" "CMakeFiles/mdrun-multisim-replex-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-multisim-replex-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 89%] Built target mdrun-multisim-replex-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-coordination-constraints-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-coordination-constraints-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-coordination-coupling-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-coordination-coupling-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-pme-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-mpi-pme-test.dir/link.d "CMakeFiles/mdrun-mpi-pme-test.dir/pmetest.cpp.o" "CMakeFiles/mdrun-mpi-pme-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-mpi-pme-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 89%] Built target mdrun-mpi-pme-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/DependInfo.cmake "--color="
@@ -6625,21 +6653,35 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/pull.cpp.o -MF CMakeFiles/mdrun-pull-test.dir/pull.cpp.o.d -o CMakeFiles/mdrun-pull-test.dir/pull.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/pull.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-fep-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-fep-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-multisim-replex-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-pme-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-multisim-replex-test.dir/link.d "CMakeFiles/mdrun-multisim-replex-test.dir/multisimtest.cpp.o" "CMakeFiles/mdrun-multisim-replex-test.dir/replicaexchange.cpp.o" "CMakeFiles/mdrun-multisim-replex-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-multisim-replex-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 89%] Built target mdrun-multisim-replex-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-pull-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-mpi-pme-test.dir/link.d "CMakeFiles/mdrun-mpi-pme-test.dir/pmetest.cpp.o" "CMakeFiles/mdrun-mpi-pme-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-mpi-pme-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 89%] Built target mdrun-mpi-pme-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-rotation-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-rotation-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-simulator-comparison-test.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-pull-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-simulator-comparison-test.dir/simulator.cpp.o -MF CMakeFiles/mdrun-simulator-comparison-test.dir/simulator.cpp.o.d -o CMakeFiles/mdrun-simulator-comparison-test.dir/simulator.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/simulator.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-coordination-basic-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-rotation-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-rotation-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-rotation-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-coordination-basic-test.dir/link.d "CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions.cpp.o" "CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o" "CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-coordination-basic-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 89%] Built target mdrun-coordination-basic-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/DependInfo.cmake "--color="
@@ -6647,11 +6689,6 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/virtualsites.cpp.o -MF CMakeFiles/mdrun-vsites-test.dir/virtualsites.cpp.o.d -o CMakeFiles/mdrun-vsites-test.dir/virtualsites.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/virtualsites.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-coordination-basic-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-coordination-constraints-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-coordination-constraints-test.dir/link.d "CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions.cpp.o" "CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions_constraints.cpp.o" "CMakeFiles/mdrun-coordination-constraints-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-coordination-constraints-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 89%] Built target mdrun-coordination-constraints-test
 /usr/bin/make  -f api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/build.make api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/DependInfo.cmake "--color="
@@ -6660,9 +6697,6 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/restraint.cpp.o -MF CMakeFiles/gmxapi-test.dir/restraint.cpp.o.d -o CMakeFiles/gmxapi-test.dir/restraint.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/restraint.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-vsites-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-vsites-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-coordination-basic-test.dir/link.d "CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions.cpp.o" "CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o" "CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-coordination-basic-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 89%] Built target mdrun-coordination-basic-test
 /usr/bin/make  -f api/gmxapi/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/build.make api/gmxapi/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/workflow/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/workflow/tests /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/DependInfo.cmake "--color="
@@ -6670,12 +6704,12 @@
 /usr/bin/make  -f api/gmxapi/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/build.make api/gmxapi/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/workflow/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/workflow/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/workflow.cpp.o -MF CMakeFiles/workflow-details-test.dir/workflow.cpp.o.d -o CMakeFiles/workflow-details-test.dir/workflow.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/workflow/tests/workflow.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-coordination-constraints-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/runner.cpp.o -MF CMakeFiles/gmxapi-test.dir/runner.cpp.o.d -o CMakeFiles/gmxapi-test.dir/runner.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/runner.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-coordination-coupling-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-rotation-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-rotation-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-rotation-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-coordination-coupling-test.dir/link.d "CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions.cpp.o" "CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o" "CMakeFiles/mdrun-coordination-coupling-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-coordination-coupling-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-coordination-constraints-test.dir/link.d "CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions.cpp.o" "CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions_constraints.cpp.o" "CMakeFiles/mdrun-coordination-constraints-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-coordination-constraints-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 89%] Built target mdrun-coordination-coupling-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/workflow/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/workflow/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+[ 89%] Built target mdrun-coordination-constraints-test
 /usr/bin/make  -f api/nblib/tests/CMakeFiles/nblib-integrator-test.dir/build.make api/nblib/tests/CMakeFiles/nblib-integrator-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/CMakeFiles/nblib-integrator-test.dir/DependInfo.cmake "--color="
@@ -6683,15 +6717,12 @@
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integrator-test.dir/integrator.cpp.o -MF CMakeFiles/nblib-integrator-test.dir/integrator.cpp.o.d -o CMakeFiles/nblib-integrator-test.dir/integrator.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/integrator.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-coordination-coupling-test.dir/link.d "CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions.cpp.o" "CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o" "CMakeFiles/mdrun-coordination-coupling-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-coordination-coupling-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 89%] Built target mdrun-coordination-coupling-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integrator-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-integrator-test.dir/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-integrator-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/runner.cpp.o -MF CMakeFiles/gmxapi-test.dir/runner.cpp.o.d -o CMakeFiles/gmxapi-test.dir/runner.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/runner.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/workflow/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/workflow/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/status.cpp.o -MF CMakeFiles/gmxapi-test.dir/status.cpp.o.d -o CMakeFiles/gmxapi-test.dir/status.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/status.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o -MF CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o.d -o CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/stopsignaler.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/workflow/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/workflow-details-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/workflow-details-test.dir/link.d "CMakeFiles/workflow-details-test.dir/workflow.cpp.o" "CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o" ../../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../../bin/workflow-details-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgmxapi.so.0.4.0 ../../../../../lib/libmdrun_test_infrastructure.a ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgmock.so.1.13.0 ../../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 91%] Built target workflow-details-test
 /usr/bin/make  -f api/nblib/tests/CMakeFiles/nblib-setup-test.dir/build.make api/nblib/tests/CMakeFiles/nblib-setup-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/CMakeFiles/nblib-setup-test.dir/DependInfo.cmake "--color="
@@ -6699,15 +6730,13 @@
 /usr/bin/make  -f api/nblib/tests/CMakeFiles/nblib-setup-test.dir/build.make api/nblib/tests/CMakeFiles/nblib-setup-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/box.cpp.o -MF CMakeFiles/nblib-setup-test.dir/box.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/box.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/box.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/link.d "CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/multisimtest.cpp.o" "CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/replicaexchange_equivalence.cpp.o" "CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-multisim-replex-equivalence-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 92%] Built target mdrun-multisim-replex-equivalence-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o -MF CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o.d -o CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/stopsignaler.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/workflow/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/workflow-details-test.dir/link.txt --verbose=1
 cd /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/system.cpp.o -MF CMakeFiles/gmxapi-test.dir/system.cpp.o.d -o CMakeFiles/gmxapi-test.dir/system.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/system.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-fep-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-fep-test.dir/link.d "CMakeFiles/mdrun-fep-test.dir/expandedensemble.cpp.o" "CMakeFiles/mdrun-fep-test.dir/freeenergy.cpp.o" "CMakeFiles/mdrun-fep-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-fep-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/workflow-details-test.dir/link.d "CMakeFiles/workflow-details-test.dir/workflow.cpp.o" "CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o" ../../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../../bin/workflow-details-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgmxapi.so.0.4.0 ../../../../../lib/libmdrun_test_infrastructure.a ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgmock.so.1.13.0 ../../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 93%] Built target mdrun-fep-test
+[ 91%] Built target workflow-details-test
 /usr/bin/make  -f api/nblib/tests/CMakeFiles/nblib-tpr-test.dir/build.make api/nblib/tests/CMakeFiles/nblib-tpr-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/CMakeFiles/nblib-tpr-test.dir/DependInfo.cmake "--color="
@@ -6715,11 +6744,23 @@
 /usr/bin/make  -f api/nblib/tests/CMakeFiles/nblib-tpr-test.dir/build.make api/nblib/tests/CMakeFiles/nblib-tpr-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-tpr-test.dir/tpr.cpp.o -MF CMakeFiles/nblib-tpr-test.dir/tpr.cpp.o.d -o CMakeFiles/nblib-tpr-test.dir/tpr.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/tpr.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/version.cpp.o -MF CMakeFiles/gmxapi-test.dir/version.cpp.o.d -o CMakeFiles/gmxapi-test.dir/version.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/version.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/link.d "CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/multisimtest.cpp.o" "CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/replicaexchange_equivalence.cpp.o" "CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-multisim-replex-equivalence-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 92%] Built target mdrun-multisim-replex-equivalence-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-tpr-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-tpr-test.dir/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-tpr-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-simulator-comparison-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-simulator-comparison-test.dir/link.d "CMakeFiles/mdrun-simulator-comparison-test.dir/simulator.cpp.o" "CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-simulator-comparison-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 92%] Built target mdrun-simulator-comparison-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/version.cpp.o -MF CMakeFiles/gmxapi-test.dir/version.cpp.o.d -o CMakeFiles/gmxapi-test.dir/version.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/version.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/interactions.cpp.o -MF CMakeFiles/nblib-setup-test.dir/interactions.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/interactions.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/interactions.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/gmxapi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/gmxapi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-rotation-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-rotation-test.dir/link.d "CMakeFiles/mdrun-rotation-test.dir/pull_rotation.cpp.o" "CMakeFiles/mdrun-rotation-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-rotation-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 92%] Built target mdrun-rotation-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/gmxapi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/gmxapi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/particletype.cpp.o -MF CMakeFiles/nblib-setup-test.dir/particletype.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/particletype.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/particletype.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/pbcholder.cpp.o -MF CMakeFiles/nblib-setup-test.dir/pbcholder.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/pbcholder.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/pbcholder.cpp
 /usr/bin/make  -f api/nblib/tests/CMakeFiles/nblib-integration-test.dir/build.make api/nblib/tests/CMakeFiles/nblib-integration-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/CMakeFiles/nblib-integration-test.dir/DependInfo.cmake "--color="
@@ -6727,11 +6768,8 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integration-test.dir/gmxcalculator.cpp.o -MF CMakeFiles/nblib-integration-test.dir/gmxcalculator.cpp.o.d -o CMakeFiles/nblib-integration-test.dir/gmxcalculator.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/gmxcalculator.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-rotation-test.dir/link.d "CMakeFiles/mdrun-rotation-test.dir/pull_rotation.cpp.o" "CMakeFiles/mdrun-rotation-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-rotation-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 93%] Built target mdrun-rotation-test
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-simulator-comparison-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-fep-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/molecules.cpp.o -MF CMakeFiles/nblib-setup-test.dir/molecules.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/molecules.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/molecules.cpp
 /usr/bin/make  -f api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/build.make api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/DependInfo.cmake "--color="
@@ -6739,17 +6777,15 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/bondtypes.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/bondtypes.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/bondtypes.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/bondtypes.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/gmxcalculator.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/gmxcalculator.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/gmxcalculator.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/gmxcalculator.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-simulator-comparison-test.dir/link.d "CMakeFiles/mdrun-simulator-comparison-test.dir/simulator.cpp.o" "CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-simulator-comparison-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-fep-test.dir/link.d "CMakeFiles/mdrun-fep-test.dir/expandedensemble.cpp.o" "CMakeFiles/mdrun-fep-test.dir/freeenergy.cpp.o" "CMakeFiles/mdrun-fep-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-fep-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 93%] Built target mdrun-simulator-comparison-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/pbcholder.cpp.o -MF CMakeFiles/nblib-setup-test.dir/pbcholder.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/pbcholder.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/pbcholder.cpp
+[ 93%] Built target mdrun-fep-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integration-test.dir/nbkernelsystem.cpp.o -MF CMakeFiles/nblib-integration-test.dir/nbkernelsystem.cpp.o.d -o CMakeFiles/nblib-integration-test.dir/nbkernelsystem.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/nbkernelsystem.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-vsites-test.dir/link.txt --verbose=1
 cd /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-vsites-test.dir/link.d "CMakeFiles/mdrun-vsites-test.dir/virtualsites.cpp.o" "CMakeFiles/mdrun-vsites-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-vsites-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gmxapi-test.dir/link.d "CMakeFiles/gmxapi-test.dir/restraint.cpp.o" "CMakeFiles/gmxapi-test.dir/runner.cpp.o" "CMakeFiles/gmxapi-test.dir/status.cpp.o" "CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o" "CMakeFiles/gmxapi-test.dir/system.cpp.o" "CMakeFiles/gmxapi-test.dir/version.cpp.o" "CMakeFiles/gmxapi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o" ../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/gmxapi-test  ../../../../lib/libtestutils.a ../../../../lib/libgmxapi.so.0.4.0 ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 93%] Built target mdrun-vsites-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-vsites-test.dir/link.txt --verbose=1
+[ 93%] Built target gmxapi-test
 /usr/bin/make  -f api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/build.make api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib/util/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/util/tests /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/DependInfo.cmake "--color="
@@ -6757,9 +6793,23 @@
 /usr/bin/make  -f api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/build.make api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/util/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/util/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/util/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/setup.cpp.o -MF CMakeFiles/nblib-util-test.dir/setup.cpp.o.d -o CMakeFiles/nblib-util-test.dir/setup.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/util/tests/setup.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gmxapi-test.dir/link.d "CMakeFiles/gmxapi-test.dir/restraint.cpp.o" "CMakeFiles/gmxapi-test.dir/runner.cpp.o" "CMakeFiles/gmxapi-test.dir/status.cpp.o" "CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o" "CMakeFiles/gmxapi-test.dir/system.cpp.o" "CMakeFiles/gmxapi-test.dir/version.cpp.o" "CMakeFiles/gmxapi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o" ../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/gmxapi-test  ../../../../lib/libtestutils.a ../../../../lib/libgmxapi.so.0.4.0 ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-tpr-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-integrator-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-vsites-test.dir/link.d "CMakeFiles/mdrun-vsites-test.dir/virtualsites.cpp.o" "CMakeFiles/mdrun-vsites-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-vsites-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 93%] Built target gmxapi-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/nbnxmsetup.cpp.o -MF CMakeFiles/nblib-setup-test.dir/nbnxmsetup.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/nbnxmsetup.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/nbnxmsetup.cpp
+[ 93%] Built target mdrun-vsites-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/gmxcalculator.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/gmxcalculator.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/gmxcalculator.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/gmxcalculator.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/helpers.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/helpers.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/helpers.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/helpers.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-integrator-test.dir/link.d "CMakeFiles/nblib-integrator-test.dir/integrator.cpp.o" "CMakeFiles/nblib-integrator-test.dir/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../bin/nblib-integrator-test  ../../../lib/libtestutils.a ../../../lib/libnblib_test_infrastructure.a ../../../lib/libnblib_gmx.so.0.1.0 ../../../lib/libtestutils.a ../../../lib/libgmock.so.1.13.0 ../../../lib/libgtest.so.1.13.0 ../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-tpr-test.dir/link.d "CMakeFiles/nblib-tpr-test.dir/tpr.cpp.o" "CMakeFiles/nblib-tpr-test.dir/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../bin/nblib-tpr-test  ../../../lib/libtestutils.a ../../../lib/libmdrun_test_infrastructure.a ../../../lib/libnblib_test_infrastructure.a ../../../lib/libnblib_gmx.so.0.1.0 ../../../lib/libtestutils.a ../../../lib/libgmock.so.1.13.0 ../../../lib/libgtest.so.1.13.0 ../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 93%] Built target nblib-integrator-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integration-test.dir/simstate.cpp.o -MF CMakeFiles/nblib-integration-test.dir/simstate.cpp.o.d -o CMakeFiles/nblib-integration-test.dir/simstate.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/simstate.cpp
+[ 94%] Built target nblib-tpr-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/topology.cpp.o -MF CMakeFiles/nblib-setup-test.dir/topology.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/topology.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/topology.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integration-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-integration-test.dir/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-integration-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 /usr/bin/make  -f src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/build.make src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/plumed/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/plumed/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/DependInfo.cmake "--color="
@@ -6767,26 +6817,11 @@
 /usr/bin/make  -f src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/build.make src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/plumed/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/plumed/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/plumed/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/plumed_md_test.cpp.o -MF CMakeFiles/plumed_md-test.dir/plumed_md_test.cpp.o.d -o CMakeFiles/plumed_md-test.dir/plumed_md_test.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/plumed/tests/plumed_md_test.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/molecules.cpp.o -MF CMakeFiles/nblib-setup-test.dir/molecules.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/molecules.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/molecules.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-tpr-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-tpr-test.dir/link.d "CMakeFiles/nblib-tpr-test.dir/tpr.cpp.o" "CMakeFiles/nblib-tpr-test.dir/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../bin/nblib-tpr-test  ../../../lib/libtestutils.a ../../../lib/libmdrun_test_infrastructure.a ../../../lib/libnblib_test_infrastructure.a ../../../lib/libnblib_gmx.so.0.1.0 ../../../lib/libtestutils.a ../../../lib/libgmock.so.1.13.0 ../../../lib/libgtest.so.1.13.0 ../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 94%] Built target nblib-tpr-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integration-test.dir/simstate.cpp.o -MF CMakeFiles/nblib-integration-test.dir/simstate.cpp.o.d -o CMakeFiles/nblib-integration-test.dir/simstate.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/simstate.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-integrator-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-integrator-test.dir/link.d "CMakeFiles/nblib-integrator-test.dir/integrator.cpp.o" "CMakeFiles/nblib-integrator-test.dir/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../bin/nblib-integrator-test  ../../../lib/libtestutils.a ../../../lib/libnblib_test_infrastructure.a ../../../lib/libnblib_gmx.so.0.1.0 ../../../lib/libtestutils.a ../../../lib/libgmock.so.1.13.0 ../../../lib/libgtest.so.1.13.0 ../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-pull-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-pull-test.dir/link.d "CMakeFiles/mdrun-pull-test.dir/pull.cpp.o" "CMakeFiles/mdrun-pull-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-pull-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 94%] Built target nblib-integrator-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integration-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-integration-test.dir/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-integration-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/nbnxmsetup.cpp.o -MF CMakeFiles/nblib-setup-test.dir/nbnxmsetup.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/nbnxmsetup.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/nbnxmsetup.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/topology.cpp.o -MF CMakeFiles/nblib-setup-test.dir/topology.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/topology.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/topology.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/util/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/util/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/util/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/traits.cpp.o -MF CMakeFiles/nblib-util-test.dir/traits.cpp.o.d -o CMakeFiles/nblib-util-test.dir/traits.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/util/tests/traits.cpp
+[ 94%] Built target mdrun-pull-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/plumed/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/plumed/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/plumed/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/plumedTestUtils.cpp.o -MF CMakeFiles/plumed_md-test.dir/plumedTestUtils.cpp.o.d -o CMakeFiles/plumed_md-test.dir/plumedTestUtils.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/plumed/tests/plumedTestUtils.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/helpers.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/helpers.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/helpers.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/helpers.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/util/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/util/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/util/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-util-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-util-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/listedtesthelpers.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-pull-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/plumed/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/plumed/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/plumed/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/plumed_md-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/plumed_md-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 /usr/bin/make  -f src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build.make src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/commandline/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/DependInfo.cmake "--color="
@@ -6794,10 +6829,10 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o -MF CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o.d -o CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/cmdlinehelpmodule.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/util/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-util-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-pull-test.dir/link.d "CMakeFiles/mdrun-pull-test.dir/pull.cpp.o" "CMakeFiles/mdrun-pull-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-pull-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 94%] Built target mdrun-pull-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/util/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/util/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/util/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/traits.cpp.o -MF CMakeFiles/nblib-util-test.dir/traits.cpp.o.d -o CMakeFiles/nblib-util-test.dir/traits.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/util/tests/traits.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/util/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/util/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/util/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-util-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-util-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/plumed/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/plumed/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/plumed/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/plumed_md-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/plumed_md-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/listedtesthelpers.cpp
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/DependInfo.cmake "--color="
@@ -6805,22 +6840,12 @@
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/mdmodulesnotifier.cpp.o -MF CMakeFiles/mdrunutility-test.dir/mdmodulesnotifier.cpp.o.d -o CMakeFiles/mdrunutility-test.dir/mdmodulesnotifier.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/tests/mdmodulesnotifier.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-util-test.dir/link.d "CMakeFiles/nblib-util-test.dir/setup.cpp.o" "CMakeFiles/nblib-util-test.dir/traits.cpp.o" "CMakeFiles/nblib-util-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../../bin/nblib-util-test  ../../../../lib/libtestutils.a ../../../../lib/libnblib_test_infrastructure.a ../../../../lib/libnblib_gmx.so.0.1.0 ../../../../lib/libtestutils.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0 ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 94%] Built target nblib-util-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o -MF CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o.d -o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/cmdlinehelpwriter.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/kernels.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/kernels.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/kernels.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/kernels.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o -MF CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o.d -o CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/tests/threadaffinity.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/util/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-util-test.dir/link.txt --verbose=1
 cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-integration-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-integration-test.dir/link.d "CMakeFiles/nblib-integration-test.dir/gmxcalculator.cpp.o" "CMakeFiles/nblib-integration-test.dir/nbkernelsystem.cpp.o" "CMakeFiles/nblib-integration-test.dir/simstate.cpp.o" "CMakeFiles/nblib-integration-test.dir/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../bin/nblib-integration-test  ../../../lib/libtestutils.a ../../../lib/libnblib_test_infrastructure.a ../../../lib/libnblib_gmx.so.0.1.0 ../../../lib/libtestutils.a ../../../lib/libgmock.so.1.13.0 ../../../lib/libgtest.so.1.13.0 ../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-util-test.dir/link.d "CMakeFiles/nblib-util-test.dir/setup.cpp.o" "CMakeFiles/nblib-util-test.dir/traits.cpp.o" "CMakeFiles/nblib-util-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../../bin/nblib-util-test  ../../../../lib/libtestutils.a ../../../../lib/libnblib_test_infrastructure.a ../../../../lib/libnblib_gmx.so.0.1.0 ../../../../lib/libtestutils.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0 ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 94%] Built target nblib-integration-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o -MF CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o.d -o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/cmdlinemodulemanager.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/virials.cpp.o -MF CMakeFiles/nblib-setup-test.dir/virials.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/virials.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/virials.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/typetests.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/typetests.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/typetests.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/typetests.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o -MF CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o.d -o CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/cmdlinemodulemanagertest.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/calculator.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/calculator.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/calculator.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/calculator.cpp
+[ 94%] Built target nblib-util-test
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/DependInfo.cmake "--color="
@@ -6828,7 +6853,10 @@
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o -MF CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o.d -o CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/tests/threadaffinity_mpi.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/plumed/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/plumed_md-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/virials.cpp.o -MF CMakeFiles/nblib-setup-test.dir/virials.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/virials.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/virials.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-integration-test.dir/link.d "CMakeFiles/nblib-integration-test.dir/gmxcalculator.cpp.o" "CMakeFiles/nblib-integration-test.dir/nbkernelsystem.cpp.o" "CMakeFiles/nblib-integration-test.dir/simstate.cpp.o" "CMakeFiles/nblib-integration-test.dir/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../bin/nblib-integration-test  ../../../lib/libtestutils.a ../../../lib/libnblib_test_infrastructure.a ../../../lib/libnblib_gmx.so.0.1.0 ../../../lib/libtestutils.a ../../../lib/libgmock.so.1.13.0 ../../../lib/libgtest.so.1.13.0 ../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 94%] Built target nblib-integration-test
 /usr/bin/make  -f src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/build.make src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/analysisdata/tests /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/analysisdata/tests /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/DependInfo.cmake "--color="
@@ -6836,82 +6864,90 @@
 /usr/bin/make  -f src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/build.make src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/analysisdata/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/arraydata.cpp.o -MF CMakeFiles/analysisdata-test.dir/arraydata.cpp.o.d -o CMakeFiles/analysisdata-test.dir/arraydata.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/analysisdata/tests/arraydata.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/plumed_md-test.dir/link.d "CMakeFiles/plumed_md-test.dir/plumed_md_test.cpp.o" "CMakeFiles/plumed_md-test.dir/plumedTestUtils.cpp.o" "CMakeFiles/plumed_md-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../../bin/plumed_md-test  ../../../../../lib/libtestutils.a ../../../../../lib/libmdrun_test_infrastructure.a -ldl ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgmock.so.1.13.0 ../../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 94%] Built target plumed_md-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/conversions.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/conversions.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/conversions.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/conversions.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o -MF CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o.d -o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/cmdlineparser.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrunutility-test.dir/link.d "CMakeFiles/mdrunutility-test.dir/mdmodulesnotifier.cpp.o" "CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o" "CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/mdrunutility-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 94%] Built target mdrunutility-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/analysisdata/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/average.cpp.o -MF CMakeFiles/analysisdata-test.dir/average.cpp.o.d -o CMakeFiles/analysisdata-test.dir/average.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/analysisdata/tests/average.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o -MF CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o.d -o CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/tests/threadaffinity.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/angle.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/angle.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/angle.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/angle.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-mpi-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrunutility-mpi-test.dir/link.d "CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o" "CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/mdrunutility-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 [ 96%] Built target mdrunutility-mpi-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-setup-test.dir/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/calculator.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/calculator.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/calculator.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/calculator.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/analysisdata/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/average.cpp.o -MF CMakeFiles/analysisdata-test.dir/average.cpp.o.d -o CMakeFiles/analysisdata-test.dir/average.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/analysisdata/tests/average.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrunutility-test.dir/link.d "CMakeFiles/mdrunutility-test.dir/mdmodulesnotifier.cpp.o" "CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o" "CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/mdrunutility-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 96%] Built target mdrunutility-test
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/analysisdata/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/histogram.cpp.o -MF CMakeFiles/analysisdata-test.dir/histogram.cpp.o.d -o CMakeFiles/analysisdata-test.dir/histogram.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/analysisdata/tests/histogram.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/plumed/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/plumed_md-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/plumed_md-test.dir/link.d "CMakeFiles/plumed_md-test.dir/plumed_md_test.cpp.o" "CMakeFiles/plumed_md-test.dir/plumedTestUtils.cpp.o" "CMakeFiles/plumed_md-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../../bin/plumed_md-test  ../../../../../lib/libtestutils.a ../../../../../lib/libmdrun_test_infrastructure.a -ldl ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgmock.so.1.13.0 ../../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 96%] Built target plumed_md-test
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/transformations.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/transformations.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/transformations.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/transformations.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/freevolume.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/freevolume.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/freevolume.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/freevolume.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic'
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 [ 96%] Built target nblib-tests
-cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/pargs.cpp.o -MF CMakeFiles/commandline-test.dir/pargs.cpp.o.d -o CMakeFiles/commandline-test.dir/pargs.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/pargs.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/gyrate.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/gyrate.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/gyrate.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/gyrate.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/hbond.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/hbond.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/hbond.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/hbond.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/analysisdata/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/analysisdata-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/analysisdata-test.dir/link.d "CMakeFiles/analysisdata-test.dir/analysisdata.cpp.o" "CMakeFiles/analysisdata-test.dir/arraydata.cpp.o" "CMakeFiles/analysisdata-test.dir/average.cpp.o" "CMakeFiles/analysisdata-test.dir/histogram.cpp.o" "CMakeFiles/analysisdata-test.dir/lifetime.cpp.o" "CMakeFiles/analysisdata-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/analysisdata-test  ../../../../lib/libtestutils.a ../../../../lib/libanalysisdata-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
+[ 96%] Built target analysisdata-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/msd.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/msd.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/msd.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/msd.cpp
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
-[ 96%] Built target analysisdata-test
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 cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/unionfind.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/unionfind.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/unionfind.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/unionfind.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/commandline/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/commandline-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/commandline-test.dir/link.d "CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o" "CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o" "CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o" "CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o" "CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o" "CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o" "CMakeFiles/commandline-test.dir/filenm.cpp.o" "CMakeFiles/commandline-test.dir/pargs.cpp.o" "CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/commandline-test  ../../../../lib/libtestutils.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
 [ 97%] Built target commandline-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/listed_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-listed-forces-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-listed-forces-test.dir/link.d "CMakeFiles/nblib-listed-forces-test.dir/bondtypes.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/gmxcalculator.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/helpers.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/kernels.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/typetests.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/calculator.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/conversions.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/shiftforces.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/transformations.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../../bin/nblib-listed-forces-test  ../../../../lib/libtestutils.a ../../../../lib/libnblib_test_infrastructure.a ../../../../lib/libnblib_gmx.so.0.1.0 ../../../../lib/libtestutils.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0 ../../../../lib/libgromacs.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic'
@@ -6985,7 +7021,7 @@
 1:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 1: starting mdrun 'Water and methane'
 1: 2 steps,      0.0 ps.
-1: Setting the LD random seed to -1418999041
+1: Setting the LD random seed to 670967647
 1: 
 1: Generated 331705 of the 331705 non-bonded parameter combinations
 1: 
@@ -7013,10 +7049,10 @@
 1:       you might want to increase nstlist (this has no effect on accuracy)
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.002        0.001      192.8
+1:        Time:        0.002        0.001      192.6
 1:                  (ns/day)    (hour/ns)
-1: Performance:      528.595        0.045
-1: [       OK ] GmxApiTest.ApiRunnerRestrainedMD (194 ms)
+1: Performance:      518.021        0.046
+1: [       OK ] GmxApiTest.ApiRunnerRestrainedMD (181 ms)
 1: [ RUN      ] GmxApiTest.RunnerBasicMD
 1: Generating 1-4 interactions: fudge = 0.5
 1: 
@@ -7048,7 +7084,7 @@
 1:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 1: starting mdrun 'Water and methane'
 1: 2 steps,      0.0 ps.
-1: Setting the LD random seed to -537198593
+1: Setting the LD random seed to 2121432415
 1: 
 1: Generated 331705 of the 331705 non-bonded parameter combinations
 1: 
@@ -7073,9 +7109,9 @@
 1: Writing final coordinates.
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.001        0.001      188.9
+1:        Time:        0.001        0.001      188.6
 1:                  (ns/day)    (hour/ns)
-1: Performance:      863.157        0.028
+1: Performance:      896.313        0.027
 1: [       OK ] GmxApiTest.RunnerBasicMD (153 ms)
 1: [ RUN      ] GmxApiTest.RunnerReinitialize
 1: Generating 1-4 interactions: fudge = 0.5
@@ -7112,7 +7148,7 @@
 1: 
 1: Received the remote INT/TERM signal, stopping within 200 steps
 1: 
-1: Setting the LD random seed to 1597456363
+1: Setting the LD random seed to -545571489
 1: 
 1: Generated 331705 of the 331705 non-bonded parameter combinations
 1: 
@@ -7137,9 +7173,9 @@
 1: Writing final coordinates.
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.002        0.001      192.6
+1:        Time:        0.002        0.001      192.5
 1:                  (ns/day)    (hour/ns)
-1: Performance:     3908.379        0.006
+1: Performance:     3890.986        0.006
 1: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 1: Changing nstlist from 10 to 25, rlist from 1.057 to 1.183
 1: 
@@ -7157,10 +7193,10 @@
 1: Writing final coordinates.
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.002        0.001      193.1
+1:        Time:        0.002        0.001      193.0
 1:                  (ns/day)    (hour/ns)
-1: Performance:     3747.747        0.006
-1: [       OK ] GmxApiTest.RunnerReinitialize (151 ms)
+1: Performance:     3668.205        0.007
+1: [       OK ] GmxApiTest.RunnerReinitialize (150 ms)
 1: [ RUN      ] GmxApiTest.RunnerChainedMD
 1: Generating 1-4 interactions: fudge = 0.5
 1: 
@@ -7192,7 +7228,7 @@
 1:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 1: starting mdrun 'Water and methane'
 1: 2 steps,      0.0 ps.
-1: Setting the LD random seed to -134692929
+1: Setting the LD random seed to 1004993895
 1: 
 1: Generated 331705 of the 331705 non-bonded parameter combinations
 1: 
@@ -7217,9 +7253,9 @@
 1: Writing final coordinates.
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.001        0.001      187.9
+1:        Time:        0.001        0.001      188.9
 1:                  (ns/day)    (hour/ns)
-1: Performance:      889.554        0.027
+1: Performance:      841.938        0.029
 1: trr version: GMX_trn_file (single precision)
 1: 
 1: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerChainedMD.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -7258,11 +7294,11 @@
 1: Writing final coordinates.
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.001        0.001      192.4
+1:        Time:        0.001        0.001      192.2
 1:                  (ns/day)    (hour/ns)
-1: Performance:      910.144        0.026
+1: Performance:      926.425        0.026
 1: 
-1: [       OK ] GmxApiTest.RunnerChainedMD (154 ms)
+1: [       OK ] GmxApiTest.RunnerChainedMD (150 ms)
 1: [ RUN      ] GmxApiTest.Status
 1: [       OK ] GmxApiTest.Status (0 ms)
 1: [ RUN      ] GmxApiTest.ApiRunnerStopSignalClient
@@ -7296,7 +7332,7 @@
 1:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 1: starting mdrun 'Water and methane'
 1: 4 steps,      0.0 ps.
-1: Setting the LD random seed to -1151479809
+1: Setting the LD random seed to 1876778495
 1: 
 1: Generated 331705 of the 331705 non-bonded parameter combinations
 1: 
@@ -7324,9 +7360,9 @@
 1:       you might want to increase nstlist (this has no effect on accuracy)
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.001        0.001      190.3
+1:        Time:        0.001        0.001      190.6
 1:                  (ns/day)    (hour/ns)
-1: Performance:     1229.654        0.020
+1: Performance:     1279.445        0.019
 1: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 1: Overriding nsteps with value passed on the command line: 4 steps, 0.00781 ps
 1: Changing nstlist from 10 to 1, rlist from 1.057 to 1
@@ -7343,13 +7379,10 @@
 1: starting mdrun 'Water and methane'
 1: 4 steps,      0.0 ps.
 1: 
-1: NOTE: 10 % of the run time was spent in pair search,
-1:       you might want to increase nstlist (this has no effect on accuracy)
-1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.001        0.001      187.7
+1:        Time:        0.001        0.001      187.3
 1:                  (ns/day)    (hour/ns)
-1: Performance:      652.039        0.037
+1: Performance:      653.545        0.037
 1: [       OK ] GmxApiTest.ApiRunnerStopSignalClient (154 ms)
 1: [ RUN      ] GmxApiTest.SystemConstruction
 1: Generating 1-4 interactions: fudge = 0.5
@@ -7369,7 +7402,7 @@
 1: 
 1: 
 1: There were 2 NOTEs
-1: Setting the LD random seed to -621903937
+1: Setting the LD random seed to 1878925007
 1: 
 1: Generated 331705 of the 331705 non-bonded parameter combinations
 1: 
@@ -7390,17 +7423,17 @@
 1: Note that mdrun will redetermine rlist based on the actual pair-list setup
 1: 
 1: This run will generate roughly 0 Mb of data
-1: [       OK ] GmxApiTest.SystemConstruction (137 ms)
+1: [       OK ] GmxApiTest.SystemConstruction (139 ms)
 1: [ RUN      ] GmxApiTest.SaneVersionComparisons
 1: [       OK ] GmxApiTest.SaneVersionComparisons (0 ms)
 1: [ RUN      ] GmxApiTest.VersionNamed0_1_Features
 1: [       OK ] GmxApiTest.VersionNamed0_1_Features (0 ms)
-1: [----------] 9 tests from GmxApiTest (945 ms total)
+1: [----------] 9 tests from GmxApiTest (931 ms total)
 1: 
 1: [----------] Global test environment tear-down
-1: [==========] 9 tests from 1 test suite ran. (961 ms total)
+1: [==========] 9 tests from 1 test suite ran. (946 ms total)
 1: [  PASSED  ] 9 tests.
- 1/92 Test  #1: GmxapiExternalInterfaceTests ..............   Passed    1.01 sec
+ 1/92 Test  #1: GmxapiExternalInterfaceTests ..............   Passed    0.98 sec
 test 2
       Start  2: GmxapiInternalInterfaceTests
 
@@ -7428,7 +7461,7 @@
 2: 
 2: 
 2: There were 2 NOTEs
-2: Setting the LD random seed to -2013609985
+2: Setting the LD random seed to -40250433
 2: 
 2: Generated 331705 of the 331705 non-bonded parameter combinations
 2: 
@@ -7449,7 +7482,7 @@
 2: Note that mdrun will redetermine rlist based on the actual pair-list setup
 2: 
 2: This run will generate roughly 0 Mb of data
-2: [       OK ] GmxApiTest.BuildApiWorkflowImpl (179 ms)
+2: [       OK ] GmxApiTest.BuildApiWorkflowImpl (169 ms)
 2: [ RUN      ] GmxApiTest.CreateApiWorkflow
 2: Generating 1-4 interactions: fudge = 0.5
 2: 
@@ -7468,7 +7501,7 @@
 2: 
 2: 
 2: There were 2 NOTEs
-2: Setting the LD random seed to -269763623
+2: Setting the LD random seed to -638591021
 2: 
 2: Generated 331705 of the 331705 non-bonded parameter combinations
 2: 
@@ -7489,13 +7522,13 @@
 2: Note that mdrun will redetermine rlist based on the actual pair-list setup
 2: 
 2: This run will generate roughly 0 Mb of data
-2: [       OK ] GmxApiTest.CreateApiWorkflow (134 ms)
-2: [----------] 2 tests from GmxApiTest (313 ms total)
+2: [       OK ] GmxApiTest.CreateApiWorkflow (133 ms)
+2: [----------] 2 tests from GmxApiTest (302 ms total)
 2: 
 2: [----------] Global test environment tear-down
-2: [==========] 2 tests from 1 test suite ran. (328 ms total)
+2: [==========] 2 tests from 1 test suite ran. (319 ms total)
 2: [  PASSED  ] 2 tests.
- 2/92 Test  #2: GmxapiInternalInterfaceTests ..............   Passed    0.35 sec
+ 2/92 Test  #2: GmxapiInternalInterfaceTests ..............   Passed    0.34 sec
 test 3
       Start  3: NbLibListedForcesTests
 
@@ -7520,8 +7553,8 @@
 3: [ RUN      ] NBlibTest.EndToEndListedComparison
 3: [       OK ] NBlibTest.EndToEndListedComparison (0 ms)
 3: [ RUN      ] NBlibTest.shiftForcesAreCorrect
-3: [       OK ] NBlibTest.shiftForcesAreCorrect (28 ms)
-3: [----------] 8 tests from NBlibTest (29 ms total)
+3: [       OK ] NBlibTest.shiftForcesAreCorrect (29 ms)
+3: [----------] 8 tests from NBlibTest (30 ms total)
 3: 
 3: [----------] 1 test from Kernels
 3: [ RUN      ] Kernels.HarmonicScalarKernelCanCompute
@@ -7561,7 +7594,7 @@
 3: [       OK ] TwoCenter.ListedForcesMorseBondTest (0 ms)
 3: [ RUN      ] TwoCenter.ListedForcesFeneBondTest
 3: [       OK ] TwoCenter.ListedForcesFeneBondTest (0 ms)
-3: [----------] 5 tests from TwoCenter (1 ms total)
+3: [----------] 5 tests from TwoCenter (0 ms total)
 3: 
 3: [----------] 5 tests from ListedExampleData
 3: [ RUN      ] ListedExampleData.ComputeHarmonicBondForces
@@ -7699,14 +7732,14 @@
 6: [       OK ] NBlibTest.checkNumericValuesHasInf (0 ms)
 6: [ RUN      ] NBlibTest.GeneratedVelocitiesAreCorrect
 6: Velocities were taken from a Maxwell distribution at 300 K
-6: [       OK ] NBlibTest.GeneratedVelocitiesAreCorrect (1 ms)
+6: [       OK ] NBlibTest.GeneratedVelocitiesAreCorrect (0 ms)
 6: [ RUN      ] NBlibTest.generateVelocitySize
 6: Velocities were taken from a Maxwell distribution at 300 K
 6: [       OK ] NBlibTest.generateVelocitySize (0 ms)
 6: [ RUN      ] NBlibTest.generateVelocityCheckNumbers
 6: Velocities were taken from a Maxwell distribution at 300 K
 6: [       OK ] NBlibTest.generateVelocityCheckNumbers (0 ms)
-6: [----------] 6 tests from NBlibTest (1 ms total)
+6: [----------] 6 tests from NBlibTest (0 ms total)
 6: 
 6: [----------] 10 tests from NblibTraitsUtils
 6: [ RUN      ] NblibTraitsUtils.FuseTwo
@@ -7732,7 +7765,7 @@
 6: [----------] 10 tests from NblibTraitsUtils (0 ms total)
 6: 
 6: [----------] Global test environment tear-down
-6: [==========] 16 tests from 2 test suites ran. (1 ms total)
+6: [==========] 16 tests from 2 test suites ran. (0 ms total)
 6: [  PASSED  ] 16 tests.
  6/92 Test  #6: NbLibUtilTests ............................   Passed    0.02 sec
 test 7
@@ -7869,7 +7902,7 @@
 7: [----------] 1 test from VirialsTest (0 ms total)
 7: 
 7: [----------] Global test environment tear-down
-7: [==========] 57 tests from 3 test suites ran. (3 ms total)
+7: [==========] 57 tests from 3 test suites ran. (4 ms total)
 7: [  PASSED  ] 57 tests.
  7/92 Test  #7: NbLibSetupTests ...........................   Passed    0.04 sec
 test 8
@@ -7916,7 +7949,7 @@
 8: Note that mdrun will redetermine rlist based on the actual pair-list setup
 8: 
 8: This run will generate roughly 0 Mb of data
-8: [       OK ] TprReaderTest.SimDBTprIsCreated (11 ms)
+8: [       OK ] TprReaderTest.SimDBTprIsCreated (7 ms)
 8: [ RUN      ] TprReaderTest.Spc2Reads
 8: 
 8: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary/TprReaderTest_Spc2Reads_input.mdp]:
@@ -7962,7 +7995,7 @@
 8: Note that mdrun will redetermine rlist based on the actual pair-list setup
 8: 
 8: This run will generate roughly 0 Mb of data
-8: [       OK ] TprReaderTest.Spc2Reads (8 ms)
+8: [       OK ] TprReaderTest.Spc2Reads (5 ms)
 8: [ RUN      ] TprReaderTest.ArgonImportedDataIsCorrect
 8: 
 8: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary/TprReaderTest_ArgonImportedDataIsCorrect_input.mdp]:
@@ -7998,7 +8031,7 @@
 8: Note that mdrun will redetermine rlist based on the actual pair-list setup
 8: 
 8: This run will generate roughly 0 Mb of data
-8: [       OK ] TprReaderTest.ArgonImportedDataIsCorrect (12 ms)
+8: [       OK ] TprReaderTest.ArgonImportedDataIsCorrect (5 ms)
 8: [ RUN      ] TprReaderTest.FCfromTprDataWorks
 8: 
 8: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/api/nblib/tests/Testing/Temporary/TprReaderTest_FCfromTprDataWorks_input.mdp]:
@@ -8034,13 +8067,13 @@
 8: Note that mdrun will redetermine rlist based on the actual pair-list setup
 8: 
 8: This run will generate roughly 0 Mb of data
-8: [       OK ] TprReaderTest.FCfromTprDataWorks (8 ms)
-8: [----------] 4 tests from TprReaderTest (40 ms total)
+8: [       OK ] TprReaderTest.FCfromTprDataWorks (4 ms)
+8: [----------] 4 tests from TprReaderTest (23 ms total)
 8: 
 8: [----------] Global test environment tear-down
-8: [==========] 4 tests from 1 test suite ran. (55 ms total)
+8: [==========] 4 tests from 1 test suite ran. (35 ms total)
 8: [  PASSED  ] 4 tests.
- 8/92 Test  #8: NbLibTprTests .............................   Passed    0.08 sec
+ 8/92 Test  #8: NbLibTprTests .............................   Passed    0.06 sec
 test 9
       Start  9: NbLibIntegrationTests
 
@@ -8053,9 +8086,9 @@
 9: [ RUN      ] NBlibTest.GmxForceCalculatorCanCompute
 9: [       OK ] NBlibTest.GmxForceCalculatorCanCompute (0 ms)
 9: [ RUN      ] NBlibTest.ArgonVirialsAreCorrect
-9: [       OK ] NBlibTest.ArgonVirialsAreCorrect (1 ms)
+9: [       OK ] NBlibTest.ArgonVirialsAreCorrect (0 ms)
 9: [ RUN      ] NBlibTest.ArgonEnergiesAreCorrect
-9: [       OK ] NBlibTest.ArgonEnergiesAreCorrect (1 ms)
+9: [       OK ] NBlibTest.ArgonEnergiesAreCorrect (0 ms)
 9: [ RUN      ] NBlibTest.SpcMethanolEnergiesAreCorrect
 9: [       OK ] NBlibTest.SpcMethanolEnergiesAreCorrect (0 ms)
 9: [ RUN      ] NBlibTest.SpcMethanolForcesAreCorrect
@@ -8090,7 +8123,7 @@
 9: [       OK ] NBlibTest.SimulationStateHasCorrectCoordinates (0 ms)
 9: [ RUN      ] NBlibTest.SimulationStateHasCorrectVelocities
 9: [       OK ] NBlibTest.SimulationStateHasCorrectVelocities (0 ms)
-9: [----------] 20 tests from NBlibTest (9 ms total)
+9: [----------] 20 tests from NBlibTest (8 ms total)
 9: 
 9: [----------] Global test environment tear-down
 9: [==========] 20 tests from 1 test suite ran. (9 ms total)
@@ -8251,7 +8284,7 @@
 11: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithCompoundChanges (0 ms)
 11: [ RUN      ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries
 11: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries (0 ms)
-11: [----------] 37 tests from ReferenceDataTest (8 ms total)
+11: [----------] 37 tests from ReferenceDataTest (7 ms total)
 11: 
 11: [----------] 7 tests from FloatingPointDifferenceTest
 11: [ RUN      ] FloatingPointDifferenceTest.HandlesEqualValues
@@ -8293,7 +8326,7 @@
 11: [----------] 4 tests from XvgTests (1 ms total)
 11: 
 11: [----------] Global test environment tear-down
-11: [==========] 75 tests from 7 test suites ran. (13 ms total)
+11: [==========] 75 tests from 7 test suites ran. (12 ms total)
 11: [  PASSED  ] 75 tests.
 11/92 Test #11: TestUtilsUnitTests ........................   Passed    0.04 sec
 test 12
@@ -8983,7 +9016,7 @@
 13: [       OK ] KeyValueTreeSerializerTest.ObjectWithArrays (0 ms)
 13: [ RUN      ] KeyValueTreeSerializerTest.ObjectWithObjects
 13: [       OK ] KeyValueTreeSerializerTest.ObjectWithObjects (0 ms)
-13: [----------] 4 tests from KeyValueTreeSerializerTest (1 ms total)
+13: [----------] 4 tests from KeyValueTreeSerializerTest (0 ms total)
 13: 
 13: [----------] 7 tests from TreeValueTransformTest
 13: [ RUN      ] TreeValueTransformTest.SimpleTransforms
@@ -9000,7 +9033,7 @@
 13: [       OK ] TreeValueTransformTest.ScopedTransformRules (0 ms)
 13: [ RUN      ] TreeValueTransformTest.CanAssignUserMultiValue
 13: [       OK ] TreeValueTransformTest.CanAssignUserMultiValue (0 ms)
-13: [----------] 7 tests from TreeValueTransformTest (2 ms total)
+13: [----------] 7 tests from TreeValueTransformTest (1 ms total)
 13: 
 13: [----------] 1 test from TreeValueTransformErrorTest
 13: [ RUN      ] TreeValueTransformErrorTest.ConversionError
@@ -9043,7 +9076,7 @@
 13: [       OK ] LoggerTest.LogsToMultipleFiles (0 ms)
 13: [ RUN      ] LoggerTest.LogsToStreamAndFile
 13: [       OK ] LoggerTest.LogsToStreamAndFile (0 ms)
-13: [----------] 7 tests from LoggerTest (2 ms total)
+13: [----------] 7 tests from LoggerTest (1 ms total)
 13: 
 13: [----------] 7 tests from MessageStringCollectorTest
 13: [ RUN      ] MessageStringCollectorTest.CanAddAndClearMessagesNoContext
@@ -9209,7 +9242,7 @@
 13: [       OK ] TextLineWrapperTest.HandlesContinuationCharacter (0 ms)
 13: [ RUN      ] TextLineWrapperTest.WrapsCorrectlyWithExtraWhitespace
 13: [       OK ] TextLineWrapperTest.WrapsCorrectlyWithExtraWhitespace (0 ms)
-13: [----------] 10 tests from TextLineWrapperTest (1 ms total)
+13: [----------] 10 tests from TextLineWrapperTest (0 ms total)
 13: 
 13: [----------] 1 test from CompileTimeStringJoin
 13: [ RUN      ] CompileTimeStringJoin.Works
@@ -9357,7 +9390,7 @@
 13: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest (0 ms total)
 13: 
 13: [----------] Global test environment tear-down
-13: [==========] 420 tests from 65 test suites ran. (14 ms total)
+13: [==========] 420 tests from 65 test suites ran. (11 ms total)
 13: [  PASSED  ] 420 tests.
 13: 
 13:   YOU HAVE 1 DISABLED TEST
@@ -9381,7 +9414,7 @@
 14: [----------] Global test environment tear-down
 14: [==========] 2 tests from 1 test suite ran. (1 ms total)
 14: [  PASSED  ] 2 tests.
-14/92 Test #14: UtilityMpiUnitTests .......................   Passed    0.02 sec
+14/92 Test #14: UtilityMpiUnitTests .......................   Passed    0.03 sec
 test 15
       Start 15: GmxlibTests
 
@@ -9535,7 +9568,7 @@
 15: [       OK ] NBInteraction/NonbondedFepTest.testKernel/70 (0 ms)
 15: [ RUN      ] NBInteraction/NonbondedFepTest.testKernel/71
 15: [       OK ] NBInteraction/NonbondedFepTest.testKernel/71 (0 ms)
-15: [----------] 72 tests from NBInteraction/NonbondedFepTest (15 ms total)
+15: [----------] 72 tests from NBInteraction/NonbondedFepTest (14 ms total)
 15: 
 15: [----------] 6 tests from NBInteractionShortDistance/NonbondedFepTest
 15: [ RUN      ] NBInteractionShortDistance/NonbondedFepTest.testKernel/0
@@ -9553,7 +9586,7 @@
 15: [----------] 6 tests from NBInteractionShortDistance/NonbondedFepTest (1 ms total)
 15: 
 15: [----------] Global test environment tear-down
-15: [==========] 78 tests from 2 test suites ran. (16 ms total)
+15: [==========] 78 tests from 2 test suites ran. (15 ms total)
 15: [  PASSED  ] 78 tests.
 15/92 Test #15: GmxlibTests ...............................   Passed    0.05 sec
 test 16
@@ -9603,7 +9636,7 @@
 16: [       OK ] CalcvirTest.CanCalculateVirialAtomsOutOfBoxScrewZ (0 ms)
 16: [ RUN      ] CalcvirTest.CanCalculateVirialAtomsOutOfBoxScrewXYZ
 16: [       OK ] CalcvirTest.CanCalculateVirialAtomsOutOfBoxScrewXYZ (0 ms)
-16: [----------] 6 tests from CalcvirTest (1 ms total)
+16: [----------] 6 tests from CalcvirTest (0 ms total)
 16: 
 16: [----------] 2 tests from PrEbinTest
 16: [ RUN      ] PrEbinTest.HandlesAverages
@@ -9723,7 +9756,7 @@
 16: [ RUN      ] WithParameters/ConstraintsTest.SatisfiesConstraints/12
 16: [       OK ] WithParameters/ConstraintsTest.SatisfiesConstraints/12 (8 ms)
 16: [ RUN      ] WithParameters/ConstraintsTest.SatisfiesConstraints/13
-16: [       OK ] WithParameters/ConstraintsTest.SatisfiesConstraints/13 (7 ms)
+16: [       OK ] WithParameters/ConstraintsTest.SatisfiesConstraints/13 (6 ms)
 16: [ RUN      ] WithParameters/ConstraintsTest.TriangleDetectionWorks/0
 16: [       OK ] WithParameters/ConstraintsTest.TriangleDetectionWorks/0 (0 ms)
 16: [ RUN      ] WithParameters/ConstraintsTest.TriangleDetectionWorks/1
@@ -9752,7 +9785,7 @@
 16: [       OK ] WithParameters/ConstraintsTest.TriangleDetectionWorks/12 (0 ms)
 16: [ RUN      ] WithParameters/ConstraintsTest.TriangleDetectionWorks/13
 16: [       OK ] WithParameters/ConstraintsTest.TriangleDetectionWorks/13 (0 ms)
-16: [----------] 28 tests from WithParameters/ConstraintsTest (21 ms total)
+16: [----------] 28 tests from WithParameters/ConstraintsTest (20 ms total)
 16: 
 16: [----------] 11 tests from WithParameters/EnergyOutputTest
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/0
@@ -9760,18 +9793,18 @@
 16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/0 (1 ms)
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/1
 16: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_1.edr as single precision energy file
-16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/1 (1 ms)
+16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/1 (0 ms)
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/2
 16: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_2.edr as single precision energy file
-16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/2 (1 ms)
+16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/2 (0 ms)
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/3
 16: [       OK ] WithParameters/EnergyOutputTest.CheckOutput/3 (0 ms)
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/4
 16: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_4.edr as single precision energy file
-16: 
Reading energy frame      0 time   10.100         
Reading energy frame      1 time   27.500         
Reading energy frame      2 time   44.900         
Reading energy frame      3 time   62.300         
Reading energy frame      4 time   79.700         
Reading energy frame      5 time   97.100         
Reading energy frame      6 time  114.500         
Reading energy frame      7 time  131.900         
Reading energy frame      8 time  149.300         
Reading energy frame      9 time  166.700         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/4 (5 ms)
+16: 
Reading energy frame      0 time   10.100         
Reading energy frame      1 time   27.500         
Reading energy frame      2 time   44.900         
Reading energy frame      3 time   62.300         
Reading energy frame      4 time   79.700         
Reading energy frame      5 time   97.100         
Reading energy frame      6 time  114.500         
Reading energy frame      7 time  131.900         
Reading energy frame      8 time  149.300         
Reading energy frame      9 time  166.700         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/4 (4 ms)
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/5
 16: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_5.edr as single precision energy file
-16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/5 (2 ms)
+16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/5 (1 ms)
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/6
 16: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_6.edr as single precision energy file
 16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/6 (1 ms)
@@ -9780,14 +9813,14 @@
 16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/7 (1 ms)
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/8
 16: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_8.edr as single precision energy file
-16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/8 (2 ms)
+16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/8 (0 ms)
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/9
 16: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_9.edr as single precision energy file
-16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/9 (1 ms)
+16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/9 (0 ms)
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/10
 16: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_10.edr as single precision energy file
-16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/10 (2 ms)
-16: [----------] 11 tests from WithParameters/EnergyOutputTest (23 ms total)
+16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/10 (1 ms)
+16: [----------] 11 tests from WithParameters/EnergyOutputTest (17 ms total)
 16: 
 16: [----------] 24 tests from SimpleTests/CalculateAcceptanceWeightSimple
 16: [ RUN      ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/0
@@ -9955,7 +9988,7 @@
 16: [       OK ] WithParameters/LangevinTest.SimpleIntegration/15 (0 ms)
 16: [ RUN      ] WithParameters/LangevinTest.SimpleIntegration/16
 16: [       OK ] WithParameters/LangevinTest.SimpleIntegration/16 (0 ms)
-16: [----------] 17 tests from WithParameters/LangevinTest (4 ms total)
+16: [----------] 17 tests from WithParameters/LangevinTest (1 ms total)
 16: 
 16: [----------] 16 tests from WithParameters/LeapFrogTest
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/0
@@ -9969,9 +10002,9 @@
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/4
 16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/4 (0 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/5
-16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/5 (2 ms)
+16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/5 (1 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/6
-16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/6 (4 ms)
+16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/6 (3 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/7
 16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/7 (0 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/8
@@ -9979,18 +10012,18 @@
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/9
 16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/9 (0 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/10
-16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/10 (2 ms)
+16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/10 (1 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/11
-16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/11 (1 ms)
+16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/11 (0 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/12
-16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/12 (1 ms)
+16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/12 (0 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/13
-16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/13 (2 ms)
+16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/13 (0 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/14
-16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/14 (1 ms)
+16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/14 (0 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/15
-16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/15 (1 ms)
-16: [----------] 16 tests from WithParameters/LeapFrogTest (21 ms total)
+16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/15 (0 ms)
+16: [----------] 16 tests from WithParameters/LeapFrogTest (12 ms total)
 16: 
 16: [----------] 140 tests from Cubic/ParrRahmTest
 16: [ RUN      ] Cubic/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_cubic_box_2_5_boxv__100
@@ -10273,7 +10306,7 @@
 16: [       OK ] Cubic/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_cubic_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] Cubic/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_cubic_box_10000_boxv_100
 16: [       OK ] Cubic/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_cubic_box_10000_boxv_100 (0 ms)
-16: [----------] 140 tests from Cubic/ParrRahmTest (18 ms total)
+16: [----------] 140 tests from Cubic/ParrRahmTest (5 ms total)
 16: 
 16: [----------] 140 tests from Rectilinear/ParrRahmTest
 16: [ RUN      ] Rectilinear/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_rect_box_2_5_boxv__100
@@ -10556,7 +10589,7 @@
 16: [       OK ] Rectilinear/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rect_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] Rectilinear/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rect_box_10000_boxv_100
 16: [       OK ] Rectilinear/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rect_box_10000_boxv_100 (0 ms)
-16: [----------] 140 tests from Rectilinear/ParrRahmTest (16 ms total)
+16: [----------] 140 tests from Rectilinear/ParrRahmTest (4 ms total)
 16: 
 16: [----------] 140 tests from RhombDodecXYSquare/ParrRahmTest
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_rds_box_2_5_boxv__100
@@ -10839,7 +10872,7 @@
 16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rds_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rds_box_10000_boxv_100
 16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rds_box_10000_boxv_100 (0 ms)
-16: [----------] 140 tests from RhombDodecXYSquare/ParrRahmTest (12 ms total)
+16: [----------] 140 tests from RhombDodecXYSquare/ParrRahmTest (4 ms total)
 16: 
 16: [----------] 140 tests from RhombDodecXYHex/ParrRahmTest
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_rdh_box_2_5_boxv__100
@@ -11122,7 +11155,7 @@
 16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rdh_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rdh_box_10000_boxv_100
 16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rdh_box_10000_boxv_100 (0 ms)
-16: [----------] 140 tests from RhombDodecXYHex/ParrRahmTest (11 ms total)
+16: [----------] 140 tests from RhombDodecXYHex/ParrRahmTest (4 ms total)
 16: 
 16: [----------] 140 tests from TruncOct/ParrRahmTest
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_to_box_2_5_boxv__100
@@ -11405,7 +11438,7 @@
 16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_to_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_to_box_10000_boxv_100
 16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_to_box_10000_boxv_100 (0 ms)
-16: [----------] 140 tests from TruncOct/ParrRahmTest (10 ms total)
+16: [----------] 140 tests from TruncOct/ParrRahmTest (4 ms total)
 16: 
 16: [----------] 140 tests from Other/ParrRahmTest
 16: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_other_box_2_5_boxv__100
@@ -11688,7 +11721,7 @@
 16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_other_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_other_box_10000_boxv_100
 16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_other_box_10000_boxv_100 (0 ms)
-16: [----------] 140 tests from Other/ParrRahmTest (8 ms total)
+16: [----------] 140 tests from Other/ParrRahmTest (4 ms total)
 16: 
 16: [----------] 13 tests from WithParameters/SettleTest
 16: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/0
@@ -11717,12 +11750,12 @@
 16: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/11 (0 ms)
 16: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/12
 16: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/12 (0 ms)
-16: [----------] 13 tests from WithParameters/SettleTest (5 ms total)
+16: [----------] 13 tests from WithParameters/SettleTest (4 ms total)
 16: 
 16: [----------] Global test environment tear-down
-16: [==========] 1032 tests from 27 test suites ran. (159 ms total)
+16: [==========] 1032 tests from 27 test suites ran. (88 ms total)
 16: [  PASSED  ] 1032 tests.
-16/92 Test #16: MdlibUnitTest .............................   Passed    0.27 sec
+16/92 Test #16: MdlibUnitTest .............................   Passed    0.21 sec
 test 17
       Start 17: AwhTest
 
@@ -11742,27 +11775,27 @@
 17: 
 17: [----------] 1 test from BiasTest
 17: [ RUN      ] BiasTest.DetectsCovering
-17: [       OK ] BiasTest.DetectsCovering (0 ms)
-17: [----------] 1 test from BiasTest (0 ms total)
+17: [       OK ] BiasTest.DetectsCovering (1 ms)
+17: [----------] 1 test from BiasTest (1 ms total)
 17: 
 17: [----------] 1 test from biasGridTest
 17: [ RUN      ] biasGridTest.neighborhood
-17: [       OK ] biasGridTest.neighborhood (0 ms)
-17: [----------] 1 test from biasGridTest (0 ms total)
+17: [       OK ] biasGridTest.neighborhood (2 ms)
+17: [----------] 1 test from biasGridTest (2 ms total)
 17: 
 17: [----------] 2 tests from BiasSharingTest
 17: [ RUN      ] BiasSharingTest.SharingWorks
 17: [       OK ] BiasSharingTest.SharingWorks (1 ms)
 17: [ RUN      ] BiasSharingTest.SharingScalingByMetricWorks
-17: [       OK ] BiasSharingTest.SharingScalingByMetricWorks (3 ms)
-17: [----------] 2 tests from BiasSharingTest (4 ms total)
+17: [       OK ] BiasSharingTest.SharingScalingByMetricWorks (4 ms)
+17: [----------] 2 tests from BiasSharingTest (6 ms total)
 17: 
 17: [----------] 2 tests from BiasFepLambdaStateTest
 17: [ RUN      ] BiasFepLambdaStateTest.DetectsCovering
-17: [       OK ] BiasFepLambdaStateTest.DetectsCovering (1 ms)
+17: [       OK ] BiasFepLambdaStateTest.DetectsCovering (4 ms)
 17: [ RUN      ] BiasFepLambdaStateTest.DetectsLargeNegativeForeignEnergy
 17: [       OK ] BiasFepLambdaStateTest.DetectsLargeNegativeForeignEnergy (0 ms)
-17: [----------] 2 tests from BiasFepLambdaStateTest (2 ms total)
+17: [----------] 2 tests from BiasFepLambdaStateTest (5 ms total)
 17: 
 17: [----------] 8 tests from WithParameters/BiasTest
 17: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/0
@@ -11781,7 +11814,7 @@
 17: [       OK ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/6 (0 ms)
 17: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/7
 17: [       OK ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/7 (0 ms)
-17: [----------] 8 tests from WithParameters/BiasTest (4 ms total)
+17: [----------] 8 tests from WithParameters/BiasTest (7 ms total)
 17: 
 17: [----------] 2 tests from WithParameters/BiasStateTest
 17: [ RUN      ] WithParameters/BiasStateTest.InitializesFromFile/0
@@ -11797,14 +11830,14 @@
 17: 
 17: [----------] 4 tests from WithParameters/BiasFepLambdaStateTest
 17: [ RUN      ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/0
-17: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/0 (4 ms)
+17: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/0 (9 ms)
 17: [ RUN      ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/1
-17: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/1 (4 ms)
+17: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/1 (7 ms)
 17: [ RUN      ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/2
-17: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/2 (3 ms)
+17: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/2 (7 ms)
 17: [ RUN      ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/3
-17: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/3 (3 ms)
-17: [----------] 4 tests from WithParameters/BiasFepLambdaStateTest (18 ms total)
+17: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/3 (7 ms)
+17: [----------] 4 tests from WithParameters/BiasFepLambdaStateTest (34 ms total)
 17: 
 17: [----------] 3 tests from WithParameters/FrictionMetricTest
 17: [ RUN      ] WithParameters/FrictionMetricTest.FrictionMetric/0
@@ -11812,13 +11845,13 @@
 17: [ RUN      ] WithParameters/FrictionMetricTest.FrictionMetric/1
 17: [       OK ] WithParameters/FrictionMetricTest.FrictionMetric/1 (0 ms)
 17: [ RUN      ] WithParameters/FrictionMetricTest.FrictionMetric/2
-17: [       OK ] WithParameters/FrictionMetricTest.FrictionMetric/2 (11 ms)
-17: [----------] 3 tests from WithParameters/FrictionMetricTest (13 ms total)
+17: [       OK ] WithParameters/FrictionMetricTest.FrictionMetric/2 (15 ms)
+17: [----------] 3 tests from WithParameters/FrictionMetricTest (18 ms total)
 17: 
 17: [----------] Global test environment tear-down
-17: [==========] 27 tests from 10 test suites ran. (45 ms total)
+17: [==========] 27 tests from 10 test suites ran. (77 ms total)
 17: [  PASSED  ] 27 tests.
-17/92 Test #17: AwhTest ...................................   Passed    0.06 sec
+17/92 Test #17: AwhTest ...................................   Passed    0.10 sec
 test 18
       Start 18: DensityFittingAppliedForcesUnitTest
 
@@ -11878,7 +11911,7 @@
 18: [----------] Global test environment tear-down
 18: [==========] 18 tests from 4 test suites ran. (3 ms total)
 18: [  PASSED  ] 18 tests.
-18/92 Test #18: DensityFittingAppliedForcesUnitTest .......   Passed    0.02 sec
+18/92 Test #18: DensityFittingAppliedForcesUnitTest .......   Passed    0.03 sec
 test 19
       Start 19: QMMMAppliedForcesUnitTest
 
@@ -11923,7 +11956,7 @@
 19: There were 3 NOTEs
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersFirstQMNoLink_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersFirstQMNoLink_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-19: Setting the LD random seed to -35160329
+19: Setting the LD random seed to -8388740
 19: 
 19: Generated 10 of the 10 non-bonded parameter combinations
 19: 
@@ -11936,7 +11969,7 @@
 19: There are:     4      Water residues
 19: 
 19: This run will generate roughly 0 Mb of data
-19: [       OK ] QMMMTopologyPreprocessorTest.FourWatersFirstQMNoLink (3 ms)
+19: [       OK ] QMMMTopologyPreprocessorTest.FourWatersFirstQMNoLink (6 ms)
 19: [ RUN      ] QMMMTopologyPreprocessorTest.FourWatersSeondAndForthQMNoLink
 19: 
 19: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersSeondAndForthQMNoLink_4water.mdp]:
@@ -11961,7 +11994,7 @@
 19: There were 3 NOTEs
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersSeondAndForthQMNoLink_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersSeondAndForthQMNoLink_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-19: Setting the LD random seed to -169026050
+19: Setting the LD random seed to -168968333
 19: 
 19: Generated 10 of the 10 non-bonded parameter combinations
 19: 
@@ -11974,7 +12007,7 @@
 19: There are:     4      Water residues
 19: 
 19: This run will generate roughly 0 Mb of data
-19: [       OK ] QMMMTopologyPreprocessorTest.FourWatersSeondAndForthQMNoLink (2 ms)
+19: [       OK ] QMMMTopologyPreprocessorTest.FourWatersSeondAndForthQMNoLink (5 ms)
 19: [ RUN      ] QMMMTopologyPreprocessorTest.FourWatersFirstQMWithLink
 19: 
 19: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersFirstQMWithLink_4water.mdp]:
@@ -11999,7 +12032,7 @@
 19: There were 3 NOTEs
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersFirstQMWithLink_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersFirstQMWithLink_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-19: Setting the LD random seed to -201851298
+19: Setting the LD random seed to -572526593
 19: 
 19: Generated 10 of the 10 non-bonded parameter combinations
 19: 
@@ -12012,7 +12045,7 @@
 19: There are:     4      Water residues
 19: 
 19: This run will generate roughly 0 Mb of data
-19: [       OK ] QMMMTopologyPreprocessorTest.FourWatersFirstQMWithLink (2 ms)
+19: [       OK ] QMMMTopologyPreprocessorTest.FourWatersFirstQMWithLink (4 ms)
 19: [ RUN      ] QMMMTopologyPreprocessorTest.AlanineDipeptideWithLinksNoConstraints
 19: 
 19: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_AlanineDipeptideWithLinksNoConstraints_alanine_vacuo.mdp]:
@@ -12037,7 +12070,7 @@
 19: There were 3 NOTEs
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_AlanineDipeptideWithLinksNoConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_AlanineDipeptideWithLinksNoConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-19: Setting the LD random seed to 535836635
+19: Setting the LD random seed to 2096049783
 19: 
 19: Generated 2145 of the 2145 non-bonded parameter combinations
 19: 
@@ -12059,7 +12092,7 @@
 19: Note that mdrun will redetermine rlist based on the actual pair-list setup
 19: 
 19: This run will generate roughly 0 Mb of data
-19: [       OK ] QMMMTopologyPreprocessorTest.AlanineDipeptideWithLinksNoConstraints (10 ms)
+19: [       OK ] QMMMTopologyPreprocessorTest.AlanineDipeptideWithLinksNoConstraints (14 ms)
 19: [ RUN      ] QMMMTopologyPreprocessorTest.AlanineDipeptideWithLinksWithConstraints
 19: 
 19: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_AlanineDipeptideWithLinksWithConstraints_alanine_vacuo.mdp]:
@@ -12095,7 +12128,7 @@
 19: There were 5 NOTEs
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_AlanineDipeptideWithLinksWithConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_AlanineDipeptideWithLinksWithConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-19: Setting the LD random seed to 666886309
+19: Setting the LD random seed to -27265028
 19: 
 19: Generated 2145 of the 2145 non-bonded parameter combinations
 19: 
@@ -12119,7 +12152,7 @@
 19: Note that mdrun will redetermine rlist based on the actual pair-list setup
 19: 
 19: This run will generate roughly 0 Mb of data
-19: [       OK ] QMMMTopologyPreprocessorTest.AlanineDipeptideWithLinksWithConstraints (8 ms)
+19: [       OK ] QMMMTopologyPreprocessorTest.AlanineDipeptideWithLinksWithConstraints (19 ms)
 19: [ RUN      ] QMMMTopologyPreprocessorTest.RemovingQMVsites
 19: 
 19: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_RemovingQMVsites_vsite_test.mdp]:
@@ -12143,7 +12176,7 @@
 19: There were 3 NOTEs
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_RemovingQMVsites_vsite_test.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_RemovingQMVsites_vsite_test.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-19: Setting the LD random seed to -88088611
+19: Setting the LD random seed to -1343226371
 19: 
 19: Generated 3 of the 6 non-bonded parameter combinations
 19: 
@@ -12157,8 +12190,8 @@
 19: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 19: 
 19: This run will generate roughly 0 Mb of data
-19: [       OK ] QMMMTopologyPreprocessorTest.RemovingQMVsites (3 ms)
-19: [----------] 7 tests from QMMMTopologyPreprocessorTest (31 ms total)
+19: [       OK ] QMMMTopologyPreprocessorTest.RemovingQMVsites (4 ms)
+19: [----------] 7 tests from QMMMTopologyPreprocessorTest (55 ms total)
 19: 
 19: [----------] 9 tests from QMMMOptionsTest
 19: [ RUN      ] QMMMOptionsTest.DefaultParameters
@@ -12192,9 +12225,9 @@
 19: [----------] 1 test from QMMMTest (0 ms total)
 19: 
 19: [----------] Global test environment tear-down
-19: [==========] 21 tests from 5 test suites ran. (33 ms total)
+19: [==========] 21 tests from 5 test suites ran. (57 ms total)
 19: [  PASSED  ] 21 tests.
-19/92 Test #19: QMMMAppliedForcesUnitTest .................   Passed    0.05 sec
+19/92 Test #19: QMMMAppliedForcesUnitTest .................   Passed    0.09 sec
 test 20
       Start 20: ColvarsAppliedForcesUnitTest
 
@@ -12241,7 +12274,7 @@
 20: There were 3 NOTEs
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsOptionsTest_InternalsToKvtAndBack_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsOptionsTest_InternalsToKvtAndBack_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-20: Setting the LD random seed to -1075061015
+20: Setting the LD random seed to 2062260215
 20: 
 20: Generated 10 of the 10 non-bonded parameter combinations
 20: 
@@ -12284,7 +12317,7 @@
 20: There were 3 NOTEs
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CanConstructColvarsPreProcess_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CanConstructColvarsPreProcess_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-20: Setting the LD random seed to -6586629
+20: Setting the LD random seed to -804421
 20: 
 20: Generated 10 of the 10 non-bonded parameter combinations
 20: 
@@ -12322,7 +12355,7 @@
 20: There were 3 NOTEs
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CheckValuesFourWaters_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CheckValuesFourWaters_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-20: Setting the LD random seed to -1073808719
+20: Setting the LD random seed to 1805909940
 20: 
 20: Generated 10 of the 10 non-bonded parameter combinations
 20: 
@@ -12335,7 +12368,7 @@
 20: There are:     4      Water residues
 20: 
 20: This run will generate roughly 0 Mb of data
-20: [       OK ] ColvarsPreProcessorTest.CheckValuesFourWaters (8 ms)
+20: [       OK ] ColvarsPreProcessorTest.CheckValuesFourWaters (7 ms)
 20: [ RUN      ] ColvarsPreProcessorTest.CheckNestedInputFiles
 20: 
 20: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CheckNestedInputFiles_4water.mdp]:
@@ -12360,7 +12393,7 @@
 20: There were 3 NOTEs
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CheckNestedInputFiles_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CheckNestedInputFiles_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-20: Setting the LD random seed to -1107876933
+20: Setting the LD random seed to 1860941231
 20: 
 20: Generated 10 of the 10 non-bonded parameter combinations
 20: 
@@ -12373,7 +12406,7 @@
 20: There are:     4      Water residues
 20: 
 20: This run will generate roughly 0 Mb of data
-20: [       OK ] ColvarsPreProcessorTest.CheckNestedInputFiles (9 ms)
+20: [       OK ] ColvarsPreProcessorTest.CheckNestedInputFiles (6 ms)
 20: [ RUN      ] ColvarsPreProcessorTest.WrongColvarsInput
 20: 
 20: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_WrongColvarsInput_4water.mdp]:
@@ -12398,7 +12431,7 @@
 20: There were 3 NOTEs
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_WrongColvarsInput_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_WrongColvarsInput_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-20: Setting the LD random seed to -20581
+20: Setting the LD random seed to -277090434
 20: 
 20: Generated 10 of the 10 non-bonded parameter combinations
 20: 
@@ -12411,8 +12444,8 @@
 20: There are:     4      Water residues
 20: 
 20: This run will generate roughly 0 Mb of data
-20: [       OK ] ColvarsPreProcessorTest.WrongColvarsInput (7 ms)
-20: [----------] 4 tests from ColvarsPreProcessorTest (32 ms total)
+20: [       OK ] ColvarsPreProcessorTest.WrongColvarsInput (5 ms)
+20: [----------] 4 tests from ColvarsPreProcessorTest (26 ms total)
 20: 
 20: [----------] 5 tests from ColvarsForceProviderTest
 20: [ RUN      ] ColvarsForceProviderTest.CanConstructOrNot
@@ -12441,7 +12474,7 @@
 20: There were 3 NOTEs
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_SimpleInputs_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_SimpleInputs_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-20: Setting the LD random seed to 1992978283
+20: Setting the LD random seed to -9971361
 20: 
 20: Generated 10 of the 10 non-bonded parameter combinations
 20: 
@@ -12454,7 +12487,7 @@
 20: There are:     4      Water residues
 20: 
 20: This run will generate roughly 0 Mb of data
-20: [       OK ] ColvarsForceProviderTest.SimpleInputs (8 ms)
+20: [       OK ] ColvarsForceProviderTest.SimpleInputs (6 ms)
 20: [ RUN      ] ColvarsForceProviderTest.WrongColvarsInput
 20: 
 20: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_WrongColvarsInput_4water.mdp]:
@@ -12479,7 +12512,7 @@
 20: There were 3 NOTEs
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_WrongColvarsInput_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_WrongColvarsInput_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-20: Setting the LD random seed to -17282
+20: Setting the LD random seed to -303210680
 20: 
 20: Generated 10 of the 10 non-bonded parameter combinations
 20: 
@@ -12492,7 +12525,7 @@
 20: There are:     4      Water residues
 20: 
 20: This run will generate roughly 0 Mb of data
-20: [       OK ] ColvarsForceProviderTest.WrongColvarsInput (6 ms)
+20: [       OK ] ColvarsForceProviderTest.WrongColvarsInput (4 ms)
 20: [ RUN      ] ColvarsForceProviderTest.CalculateForces4water
 20: 
 20: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_CalculateForces4water_4water.mdp]:
@@ -12517,7 +12550,7 @@
 20: There were 3 NOTEs
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_CalculateForces4water_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_CalculateForces4water_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-20: Setting the LD random seed to -104943629
+20: Setting the LD random seed to -1348257317
 20: 
 20: Generated 10 of the 10 non-bonded parameter combinations
 20: 
@@ -12530,7 +12563,7 @@
 20: There are:     4      Water residues
 20: 
 20: This run will generate roughly 0 Mb of data
-20: [       OK ] ColvarsForceProviderTest.CalculateForces4water (16 ms)
+20: [       OK ] ColvarsForceProviderTest.CalculateForces4water (12 ms)
 20: [ RUN      ] ColvarsForceProviderTest.CalculateForcesAlanine
 20: 
 20: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_CalculateForcesAlanine_ala.mdp]:
@@ -12555,7 +12588,7 @@
 20: There were 3 NOTEs
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_CalculateForcesAlanine_ala.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_CalculateForcesAlanine_ala.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-20: Setting the LD random seed to 2139025403
+20: Setting the LD random seed to -69472385
 20: 
 20: Generated 2211 of the 2211 non-bonded parameter combinations
 20: 
@@ -12577,13 +12610,13 @@
 20: Note that mdrun will redetermine rlist based on the actual pair-list setup
 20: 
 20: This run will generate roughly 0 Mb of data
-20: [       OK ] ColvarsForceProviderTest.CalculateForcesAlanine (37 ms)
-20: [----------] 5 tests from ColvarsForceProviderTest (70 ms total)
+20: [       OK ] ColvarsForceProviderTest.CalculateForcesAlanine (23 ms)
+20: [----------] 5 tests from ColvarsForceProviderTest (47 ms total)
 20: 
 20: [----------] Global test environment tear-down
-20: [==========] 16 tests from 4 test suites ran. (115 ms total)
+20: [==========] 16 tests from 4 test suites ran. (86 ms total)
 20: [  PASSED  ] 16 tests.
-20/92 Test #20: ColvarsAppliedForcesUnitTest ..............   Passed    0.14 sec
+20/92 Test #20: ColvarsAppliedForcesUnitTest ..............   Passed    0.11 sec
 test 21
       Start 21: PlumedAppliedForcesUnitTests
 
@@ -12733,7 +12766,7 @@
 21: There were 3 NOTEs
 21: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/plumed/tests/Testing/Temporary/PlumedOptionsTest_setTopology_spc_and_methane.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 21: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/plumed/tests/Testing/Temporary/PlumedOptionsTest_setTopology_spc_and_methane.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-21: Setting the LD random seed to -19660966
+21: Setting the LD random seed to 971374455
 21: 
 21: Generated 10 of the 10 non-bonded parameter combinations
 21: 
@@ -12746,7 +12779,7 @@
 21: There are:     4      Water residues
 21: 
 21: This run will generate roughly 0 Mb of data
-21: Setting the LD random seed to 1056667261
+21: Setting the LD random seed to -486883361
 21: 
 21: Generated 3 of the 3 non-bonded parameter combinations
 21: 
@@ -12766,7 +12799,7 @@
 21: Note that mdrun will redetermine rlist based on the actual pair-list setup
 21: 
 21: This run will generate roughly 0 Mb of data
-21: Setting the LD random seed to -84957489
+21: Setting the LD random seed to -68034817
 21: 
 21: Generated 1 of the 1 non-bonded parameter combinations
 21: 
@@ -12786,7 +12819,7 @@
 21: Note that mdrun will redetermine rlist based on the actual pair-list setup
 21: 
 21: This run will generate roughly 0 Mb of data
-21: Setting the LD random seed to 2134065071
+21: Setting the LD random seed to -537137555
 21: 
 21: Generated 1 of the 1 non-bonded parameter combinations
 21: 
@@ -12804,7 +12837,7 @@
 21: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 21: 
 21: This run will generate roughly 0 Mb of data
-21: Setting the LD random seed to -354593865
+21: Setting the LD random seed to -1896126501
 21: 
 21: Generated 1 of the 1 non-bonded parameter combinations
 21: 
@@ -12816,7 +12849,7 @@
 21: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 21: 
 21: This run will generate roughly 0 Mb of data
-21: Setting the LD random seed to -69734403
+21: Setting the LD random seed to -276832777
 21: 
 21: Generated 331705 of the 331705 non-bonded parameter combinations
 21: 
@@ -12841,13 +12874,13 @@
 21: Note that mdrun will redetermine rlist based on the actual pair-list setup
 21: 
 21: This run will generate roughly 0 Mb of data
-21: [       OK ] PlumedOptionsTest.setTopology (189 ms)
-21: [----------] 8 tests from PlumedOptionsTest (191 ms total)
+21: [       OK ] PlumedOptionsTest.setTopology (215 ms)
+21: [----------] 8 tests from PlumedOptionsTest (216 ms total)
 21: 
 21: [----------] Global test environment tear-down
-21: [==========] 8 tests from 1 test suite ran. (191 ms total)
+21: [==========] 8 tests from 1 test suite ran. (216 ms total)
 21: [  PASSED  ] 8 tests.
-21/92 Test #21: PlumedAppliedForcesUnitTests ..............   Passed    0.21 sec
+21/92 Test #21: PlumedAppliedForcesUnitTests ..............   Passed    0.24 sec
 test 22
       Start 22: PlumedMDTests
 
@@ -12868,12 +12901,12 @@
 22: [----------] 2 tests from SimplePlumedMD/PlumedRun (0 ms total)
 22: 
 22: [----------] Global test environment tear-down
-22: [==========] 2 tests from 1 test suite ran. (7 ms total)
+22: [==========] 2 tests from 1 test suite ran. (19 ms total)
 22: [  PASSED  ] 0 tests.
 22: [  SKIPPED ] 2 tests, listed below:
 22: [  SKIPPED ] SimplePlumedMD/PlumedRun.PlumedSees/0
 22: [  SKIPPED ] SimplePlumedMD/PlumedRun.PlumedDoes/0
-22/92 Test #22: PlumedMDTests .............................   Passed    0.02 sec
+22/92 Test #22: PlumedMDTests .............................   Passed    0.04 sec
 test 23
       Start 23: NNPotAppliedForcesUnitTest
 
@@ -12898,7 +12931,7 @@
 23: [       OK ] NNPotOptionsTest.OutputDefaultValuesWhenActive (0 ms)
 23: [ RUN      ] NNPotOptionsTest.InternalsToKvtAndBack
 23: [       OK ] NNPotOptionsTest.InternalsToKvtAndBack (0 ms)
-23: [----------] 5 tests from NNPotOptionsTest (1 ms total)
+23: [----------] 5 tests from NNPotOptionsTest (0 ms total)
 23: 
 23: [----------] 5 tests from NNPotTopologyPreprocessorTest
 23: [ RUN      ] NNPotTopologyPreprocessorTest.CanConstruct
@@ -12927,7 +12960,7 @@
 23: There were 3 NOTEs
 23: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_FourWatersFirstInQMRegion_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 23: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_FourWatersFirstInQMRegion_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-23: Setting the LD random seed to 2077228975
+23: Setting the LD random seed to -214982659
 23: 
 23: Generated 10 of the 10 non-bonded parameter combinations
 23: 
@@ -12940,7 +12973,7 @@
 23: There are:     4      Water residues
 23: 
 23: This run will generate roughly 0 Mb of data
-23: [       OK ] NNPotTopologyPreprocessorTest.FourWatersFirstInQMRegion (7 ms)
+23: [       OK ] NNPotTopologyPreprocessorTest.FourWatersFirstInQMRegion (4 ms)
 23: [ RUN      ] NNPotTopologyPreprocessorTest.FourWatersSecondAndFourthInQMRegion
 23: 
 23: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_FourWatersSecondAndFourthInQMRegion_4water.mdp]:
@@ -12965,7 +12998,7 @@
 23: There were 3 NOTEs
 23: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_FourWatersSecondAndFourthInQMRegion_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 23: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_FourWatersSecondAndFourthInQMRegion_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-23: Setting the LD random seed to -41945092
+23: Setting the LD random seed to -8389926
 23: 
 23: Generated 10 of the 10 non-bonded parameter combinations
 23: 
@@ -12978,7 +13011,7 @@
 23: There are:     4      Water residues
 23: 
 23: This run will generate roughly 0 Mb of data
-23: [       OK ] NNPotTopologyPreprocessorTest.FourWatersSecondAndFourthInQMRegion (6 ms)
+23: [       OK ] NNPotTopologyPreprocessorTest.FourWatersSecondAndFourthInQMRegion (4 ms)
 23: [ RUN      ] NNPotTopologyPreprocessorTest.AlanineDipeptideWithLinkAtomsNoConstraints
 23: 
 23: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_AlanineDipeptideWithLinkAtomsNoConstraints_alanine_vacuo.mdp]:
@@ -13003,7 +13036,7 @@
 23: There were 3 NOTEs
 23: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_AlanineDipeptideWithLinkAtomsNoConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 23: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_AlanineDipeptideWithLinkAtomsNoConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-23: Setting the LD random seed to -33689377
+23: Setting the LD random seed to -885135361
 23: 
 23: Generated 2145 of the 2145 non-bonded parameter combinations
 23: 
@@ -13025,7 +13058,7 @@
 23: Note that mdrun will redetermine rlist based on the actual pair-list setup
 23: 
 23: This run will generate roughly 0 Mb of data
-23: [       OK ] NNPotTopologyPreprocessorTest.AlanineDipeptideWithLinkAtomsNoConstraints (17 ms)
+23: [       OK ] NNPotTopologyPreprocessorTest.AlanineDipeptideWithLinkAtomsNoConstraints (11 ms)
 23: [ RUN      ] NNPotTopologyPreprocessorTest.AlanineDipeptideWithLinkAtomsWithConstraints
 23: 
 23: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_AlanineDipeptideWithLinkAtomsWithConstraints_alanine_vacuo.mdp]:
@@ -13061,7 +13094,7 @@
 23: There were 5 NOTEs
 23: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_AlanineDipeptideWithLinkAtomsWithConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 23: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_AlanineDipeptideWithLinkAtomsWithConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-23: Setting the LD random seed to -295773
+23: Setting the LD random seed to -211556865
 23: 
 23: Generated 2145 of the 2145 non-bonded parameter combinations
 23: 
@@ -13085,8 +13118,8 @@
 23: Note that mdrun will redetermine rlist based on the actual pair-list setup
 23: 
 23: This run will generate roughly 0 Mb of data
-23: [       OK ] NNPotTopologyPreprocessorTest.AlanineDipeptideWithLinkAtomsWithConstraints (17 ms)
-23: [----------] 5 tests from NNPotTopologyPreprocessorTest (49 ms total)
+23: [       OK ] NNPotTopologyPreprocessorTest.AlanineDipeptideWithLinkAtomsWithConstraints (9 ms)
+23: [----------] 5 tests from NNPotTopologyPreprocessorTest (30 ms total)
 23: 
 23: [----------] 1 test from NNPotForceProviderTest
 23: [ RUN      ] NNPotForceProviderTest.CanConstruct
@@ -13094,9 +13127,9 @@
 23: [----------] 1 test from NNPotForceProviderTest (0 ms total)
 23: 
 23: [----------] Global test environment tear-down
-23: [==========] 12 tests from 4 test suites ran. (52 ms total)
+23: [==========] 12 tests from 4 test suites ran. (31 ms total)
 23: [  PASSED  ] 12 tests.
-23/92 Test #23: NNPotAppliedForcesUnitTest ................   Passed    0.09 sec
+23/92 Test #23: NNPotAppliedForcesUnitTest ................   Passed    0.06 sec
 test 24
       Start 24: AppliedForcesUnitTest
 
@@ -13175,7 +13208,7 @@
 25: [       OK ] Bond/ListedForcesTest.Ifunc/22 (0 ms)
 25: [ RUN      ] Bond/ListedForcesTest.Ifunc/23
 25: [       OK ] Bond/ListedForcesTest.Ifunc/23 (0 ms)
-25: [----------] 24 tests from Bond/ListedForcesTest (12 ms total)
+25: [----------] 24 tests from Bond/ListedForcesTest (3 ms total)
 25: 
 25: [----------] 33 tests from Angle/ListedForcesTest
 25: [ RUN      ] Angle/ListedForcesTest.Ifunc/0
@@ -13199,7 +13232,7 @@
 25: [ RUN      ] Angle/ListedForcesTest.Ifunc/9
 25: [       OK ] Angle/ListedForcesTest.Ifunc/9 (0 ms)
 25: [ RUN      ] Angle/ListedForcesTest.Ifunc/10
-25: [       OK ] Angle/ListedForcesTest.Ifunc/10 (1 ms)
+25: [       OK ] Angle/ListedForcesTest.Ifunc/10 (0 ms)
 25: [ RUN      ] Angle/ListedForcesTest.Ifunc/11
 25: [       OK ] Angle/ListedForcesTest.Ifunc/11 (0 ms)
 25: [ RUN      ] Angle/ListedForcesTest.Ifunc/12
@@ -13244,7 +13277,7 @@
 25: [       OK ] Angle/ListedForcesTest.Ifunc/31 (0 ms)
 25: [ RUN      ] Angle/ListedForcesTest.Ifunc/32
 25: [       OK ] Angle/ListedForcesTest.Ifunc/32 (0 ms)
-25: [----------] 33 tests from Angle/ListedForcesTest (15 ms total)
+25: [----------] 33 tests from Angle/ListedForcesTest (4 ms total)
 25: 
 25: [----------] 18 tests from Dihedral/ListedForcesTest
 25: [ RUN      ] Dihedral/ListedForcesTest.Ifunc/0
@@ -13283,7 +13316,7 @@
 25: [       OK ] Dihedral/ListedForcesTest.Ifunc/16 (0 ms)
 25: [ RUN      ] Dihedral/ListedForcesTest.Ifunc/17
 25: [       OK ] Dihedral/ListedForcesTest.Ifunc/17 (0 ms)
-25: [----------] 18 tests from Dihedral/ListedForcesTest (7 ms total)
+25: [----------] 18 tests from Dihedral/ListedForcesTest (2 ms total)
 25: 
 25: [----------] 12 tests from Polarize/ListedForcesTest
 25: [ RUN      ] Polarize/ListedForcesTest.Ifunc/0
@@ -13310,7 +13343,7 @@
 25: [       OK ] Polarize/ListedForcesTest.Ifunc/10 (0 ms)
 25: [ RUN      ] Polarize/ListedForcesTest.Ifunc/11
 25: [       OK ] Polarize/ListedForcesTest.Ifunc/11 (0 ms)
-25: [----------] 12 tests from Polarize/ListedForcesTest (3 ms total)
+25: [----------] 12 tests from Polarize/ListedForcesTest (1 ms total)
 25: 
 25: [----------] 18 tests from Restraints/ListedForcesTest
 25: [ RUN      ] Restraints/ListedForcesTest.Ifunc/0
@@ -13349,7 +13382,7 @@
 25: [       OK ] Restraints/ListedForcesTest.Ifunc/16 (0 ms)
 25: [ RUN      ] Restraints/ListedForcesTest.Ifunc/17
 25: [       OK ] Restraints/ListedForcesTest.Ifunc/17 (0 ms)
-25: [----------] 18 tests from Restraints/ListedForcesTest (6 ms total)
+25: [----------] 18 tests from Restraints/ListedForcesTest (2 ms total)
 25: 
 25: [----------] 3 tests from BondZeroLength/ListedForcesTest
 25: [ RUN      ] BondZeroLength/ListedForcesTest.Ifunc/0
@@ -13358,7 +13391,7 @@
 25: [       OK ] BondZeroLength/ListedForcesTest.Ifunc/1 (0 ms)
 25: [ RUN      ] BondZeroLength/ListedForcesTest.Ifunc/2
 25: [       OK ] BondZeroLength/ListedForcesTest.Ifunc/2 (0 ms)
-25: [----------] 3 tests from BondZeroLength/ListedForcesTest (1 ms total)
+25: [----------] 3 tests from BondZeroLength/ListedForcesTest (0 ms total)
 25: 
 25: [----------] 3 tests from AngleZero/ListedForcesTest
 25: [ RUN      ] AngleZero/ListedForcesTest.Ifunc/0
@@ -13367,7 +13400,7 @@
 25: [       OK ] AngleZero/ListedForcesTest.Ifunc/1 (0 ms)
 25: [ RUN      ] AngleZero/ListedForcesTest.Ifunc/2
 25: [       OK ] AngleZero/ListedForcesTest.Ifunc/2 (0 ms)
-25: [----------] 3 tests from AngleZero/ListedForcesTest (1 ms total)
+25: [----------] 3 tests from AngleZero/ListedForcesTest (0 ms total)
 25: 
 25: [----------] 12 tests from 14Interaction/ListedForcesPairsTest
 25: [ RUN      ] 14Interaction/ListedForcesPairsTest.Ifunc/0
@@ -13394,7 +13427,7 @@
 25: [       OK ] 14Interaction/ListedForcesPairsTest.Ifunc/10 (0 ms)
 25: [ RUN      ] 14Interaction/ListedForcesPairsTest.Ifunc/11
 25: [       OK ] 14Interaction/ListedForcesPairsTest.Ifunc/11 (0 ms)
-25: [----------] 12 tests from 14Interaction/ListedForcesPairsTest (4 ms total)
+25: [----------] 12 tests from 14Interaction/ListedForcesPairsTest (1 ms total)
 25: 
 25: [----------] 9 tests from PosResBasicTest/PositionRestraintsTest
 25: [ RUN      ] PosResBasicTest/PositionRestraintsTest.BasicPosResNoFreeEnergy/0
@@ -13415,12 +13448,12 @@
 25: [       OK ] PosResBasicTest/PositionRestraintsTest.BasicPosResNoFreeEnergy/7 (0 ms)
 25: [ RUN      ] PosResBasicTest/PositionRestraintsTest.BasicPosResNoFreeEnergy/8
 25: [       OK ] PosResBasicTest/PositionRestraintsTest.BasicPosResNoFreeEnergy/8 (0 ms)
-25: [----------] 9 tests from PosResBasicTest/PositionRestraintsTest (2 ms total)
+25: [----------] 9 tests from PosResBasicTest/PositionRestraintsTest (0 ms total)
 25: 
 25: [----------] Global test environment tear-down
-25: [==========] 132 tests from 9 test suites ran. (54 ms total)
+25: [==========] 132 tests from 9 test suites ran. (17 ms total)
 25: [  PASSED  ] 132 tests.
-25/92 Test #25: ListedForcesTest ..........................   Passed    0.08 sec
+25/92 Test #25: ListedForcesTest ..........................   Passed    0.04 sec
 test 26
       Start 26: NbnxmTests
 
@@ -13510,25 +13543,25 @@
 26: There are no combination rule versions of the plain-C kernel
 26: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombLB (0 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwCutCombNone (8 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwCutCombNone (5 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwCutCombNone (6 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwCutCombNone (4 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombNone (6 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombNone (5 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwForceSwitch (8 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwForceSwitch (4 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwForceSwitch (5 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwForceSwitch (4 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwForceSwitch (6 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwForceSwitch (4 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwPotSwitch (5 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwPotSwitch (3 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwPotSwitch (4 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwPotSwitch (3 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwPotSwitch (4 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwPotSwitch (3 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwEwaldCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwEwaldCombGeom (4 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwEwaldCombGeom (3 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwEwaldCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwEwaldCombGeom (3 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwEwaldCombGeom
@@ -13702,25 +13735,25 @@
 26: There are no combination rule versions of the plain-C kernel
 26: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwCutCombLB (0 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwCutCombNone (4 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwCutCombNone (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwCutCombNone (3 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwCutCombNone (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwCutCombNone (3 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwCutCombNone (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwForceSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwForceSwitch (3 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwForceSwitch (3 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwForceSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwForceSwitch (3 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwForceSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwPotSwitch (3 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwPotSwitch (5 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwPotSwitch (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwPotSwitch (3 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwPotSwitch (3 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwPotSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwEwaldCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwEwaldCombGeom (3 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwEwaldCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwEwaldCombGeom
@@ -13750,25 +13783,25 @@
 26: There are no combination rule versions of the plain-C kernel
 26: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombLB (0 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwCutCombNone (4 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwCutCombNone (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwCutCombNone
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwCutCombNone (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombNone
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombNone (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwForceSwitch (3 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwForceSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwForceSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwForceSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwForceSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwForceSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwPotSwitch (4 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwPotSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwPotSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwPotSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwPotSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwPotSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwEwaldCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwEwaldCombGeom (3 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwEwaldCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom
@@ -13810,11 +13843,11 @@
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwForceSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwForceSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_NoEnergies_CoulombReactionField_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_NoEnergies_CoulombReactionField_VdwPotSwitch (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_NoEnergies_CoulombReactionField_VdwPotSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_Energies_CoulombReactionField_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_Energies_CoulombReactionField_VdwPotSwitch (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_Energies_CoulombReactionField_VdwPotSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwPotSwitch (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwPotSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_NoEnergies_CoulombReactionField_VdwEwaldCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_NoEnergies_CoulombReactionField_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_Energies_CoulombReactionField_VdwEwaldCombGeom
@@ -13992,9 +14025,9 @@
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwald_VdwCutCombNone
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwald_VdwCutCombNone (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_Energies_CoulombEwald_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_Energies_CoulombEwald_VdwCutCombNone (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_Energies_CoulombEwald_VdwCutCombNone (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwald_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwald_VdwCutCombNone (1 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwald_VdwCutCombNone (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwald_VdwForceSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwald_VdwForceSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_Energies_CoulombEwald_VdwForceSwitch
@@ -14042,7 +14075,7 @@
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_Energies_CoulombEwaldTwin_VdwCutCombNone
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_Energies_CoulombEwaldTwin_VdwCutCombNone (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombNone (1 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombNone (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwaldTwin_VdwForceSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwaldTwin_VdwForceSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_Energies_CoulombEwaldTwin_VdwForceSwitch
@@ -14062,7 +14095,7 @@
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwCutCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwCutCombGeom (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwCutCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombReactionField_VdwCutCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombReactionField_VdwCutCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombGeom
@@ -14098,7 +14131,7 @@
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwEwaldCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwEwaldCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwCutCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwCutCombGeom (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwCutCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwald_VdwCutCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwald_VdwCutCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwald_VdwCutCombGeom
@@ -14140,7 +14173,7 @@
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwCutCombLB
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwCutCombLB (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwCutCombLB (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwaldTwin_VdwCutCombLB
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwaldTwin_VdwCutCombLB (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombLB
@@ -14601,10 +14634,10 @@
 26: ./src/gromacs/nbnxm/tests/kernel_test.cpp:520: Skipped
 26: Cannot test or generate data for 2xNN kernels without suitable SIMD support
 26: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD2xMM_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom (0 ms)
-26: [----------] 360 tests from Combinations/NbnxmKernelTest (389 ms total)
+26: [----------] 360 tests from Combinations/NbnxmKernelTest (357 ms total)
 26: 
 26: [----------] Global test environment tear-down
-26: [==========] 383 tests from 4 test suites ran. (390 ms total)
+26: [==========] 383 tests from 4 test suites ran. (358 ms total)
 26: [  PASSED  ] 185 tests.
 26: [  SKIPPED ] 198 tests, listed below:
 26: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwCutCombGeom
@@ -14805,7 +14838,7 @@
 26: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD2xMM_TabYes_NoEnergies_CoulombEwaldTwin_VdwEwaldCombGeom
 26: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD2xMM_TabYes_Energies_CoulombEwaldTwin_VdwEwaldCombGeom
 26: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD2xMM_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom
-26/92 Test #26: NbnxmTests ................................   Passed    0.42 sec
+26/92 Test #26: NbnxmTests ................................   Passed    0.39 sec
 test 27
       Start 27: NbnxmGpuTests
 
@@ -14831,11 +14864,11 @@
 28: [       OK ] CommandLineHelpModuleTest.PrintsHelpOnTopic (0 ms)
 28: [ RUN      ] CommandLineHelpModuleTest.ExportsHelp
 28: [       OK ] CommandLineHelpModuleTest.ExportsHelp (1 ms)
-28: [----------] 3 tests from CommandLineHelpModuleTest (3 ms total)
+28: [----------] 3 tests from CommandLineHelpModuleTest (2 ms total)
 28: 
 28: [----------] 7 tests from CommandLineHelpWriterTest
 28: [ RUN      ] CommandLineHelpWriterTest.HandlesOptionTypes
-28: [       OK ] CommandLineHelpWriterTest.HandlesOptionTypes (1 ms)
+28: [       OK ] CommandLineHelpWriterTest.HandlesOptionTypes (0 ms)
 28: [ RUN      ] CommandLineHelpWriterTest.HandlesDefaultValuesFromVariables
 28: [       OK ] CommandLineHelpWriterTest.HandlesDefaultValuesFromVariables (0 ms)
 28: [ RUN      ] CommandLineHelpWriterTest.HandlesLongFileOptions
@@ -14848,7 +14881,7 @@
 28: [       OK ] CommandLineHelpWriterTest.HandlesHelpText (0 ms)
 28: [ RUN      ] CommandLineHelpWriterTest.HandlesKnownIssues
 28: [       OK ] CommandLineHelpWriterTest.HandlesKnownIssues (0 ms)
-28: [----------] 7 tests from CommandLineHelpWriterTest (3 ms total)
+28: [----------] 7 tests from CommandLineHelpWriterTest (1 ms total)
 28: 
 28: [----------] 6 tests from CommandLineModuleManagerTest
 28: [ RUN      ] CommandLineModuleManagerTest.RunsModule
@@ -14863,7 +14896,7 @@
 28: [       OK ] CommandLineModuleManagerTest.RunsModuleHelpWithDashHWithSingleModule (0 ms)
 28: [ RUN      ] CommandLineModuleManagerTest.HandlesConflictingBinaryAndModuleNames
 28: [       OK ] CommandLineModuleManagerTest.HandlesConflictingBinaryAndModuleNames (0 ms)
-28: [----------] 6 tests from CommandLineModuleManagerTest (0 ms total)
+28: [----------] 6 tests from CommandLineModuleManagerTest (1 ms total)
 28: 
 28: [----------] 13 tests from CommandLineParserTest
 28: [ RUN      ] CommandLineParserTest.HandlesSingleValues
@@ -14961,13 +14994,13 @@
 28: [ RUN      ] ParseCommonArgsTest.CompletesExtensionFromExistingFile
 28: [       OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFile (0 ms)
 28: [ RUN      ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName
-28: [       OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName (0 ms)
+28: [       OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName (1 ms)
 28: [ RUN      ] ParseCommonArgsTest.CanKeepUnknownArgs
 28: [       OK ] ParseCommonArgsTest.CanKeepUnknownArgs (0 ms)
-28: [----------] 22 tests from ParseCommonArgsTest (2 ms total)
+28: [----------] 22 tests from ParseCommonArgsTest (3 ms total)
 28: 
 28: [----------] Global test environment tear-down
-28: [==========] 60 tests from 7 test suites ran. (12 ms total)
+28: [==========] 60 tests from 7 test suites ran. (10 ms total)
 28: [  PASSED  ] 60 tests.
 28/92 Test #28: CommandLineUnitTests ......................   Passed    0.04 sec
 test 29
@@ -15016,19 +15049,19 @@
 30: [----------] Global test environment set-up.
 30: [----------] 4 tests from HaloExchangeTest
 30: [ RUN      ] HaloExchangeTest.Coordinates1dHaloWith1Pulse
-30: [       OK ] HaloExchangeTest.Coordinates1dHaloWith1Pulse (0 ms)
+30: [       OK ] HaloExchangeTest.Coordinates1dHaloWith1Pulse (13 ms)
 30: [ RUN      ] HaloExchangeTest.Coordinates1dHaloWith2Pulses
 30: [       OK ] HaloExchangeTest.Coordinates1dHaloWith2Pulses (0 ms)
 30: [ RUN      ] HaloExchangeTest.Coordinates2dHaloWith1PulseInEachDim
 30: [       OK ] HaloExchangeTest.Coordinates2dHaloWith1PulseInEachDim (0 ms)
 30: [ RUN      ] HaloExchangeTest.Coordinates2dHaloWith2PulsesInDim1
-30: [       OK ] HaloExchangeTest.Coordinates2dHaloWith2PulsesInDim1 (14 ms)
-30: [----------] 4 tests from HaloExchangeTest (16 ms total)
+30: [       OK ] HaloExchangeTest.Coordinates2dHaloWith2PulsesInDim1 (0 ms)
+30: [----------] 4 tests from HaloExchangeTest (15 ms total)
 30: 
 30: [----------] Global test environment tear-down
-30: [==========] 4 tests from 1 test suite ran. (16 ms total)
+30: [==========] 4 tests from 1 test suite ran. (15 ms total)
 30: [  PASSED  ] 4 tests.
-30/92 Test #30: DomDecMpiTests ............................   Passed    0.04 sec
+30/92 Test #30: DomDecMpiTests ............................   Passed    0.05 sec
 test 31
       Start 31: EwaldUnitTests
 
@@ -15054,7 +15087,7 @@
 31: 
 31: [----------] 108 tests from Pme_SplineAndSpreadTest
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_1_atom_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_1_atom_spline (8 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_1_atom_spline (2 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_1_atom_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_1_atom_spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_1_atom_fused spline and spread
@@ -15066,7 +15099,7 @@
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_2_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_2_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_spline (2 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_spline (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_spread (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_fused spline and spread
@@ -15090,7 +15123,7 @@
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_13_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_13_atoms_fused spline and spread (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_1_atom_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_1_atom_spline (1 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_1_atom_spline (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_1_atom_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_1_atom_spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_1_atom_fused spline and spread
@@ -15102,11 +15135,11 @@
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_2_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_2_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_spline (2 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_spline (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_spread (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_fused spline and spread
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_fused spline and spread (1 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_fused spline and spread (2 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_1_atom_spline
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_1_atom_spline (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_1_atom_spread
@@ -15120,13 +15153,13 @@
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_2_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_2_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_13_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_13_atoms_spline (2 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_13_atoms_spline (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_13_atoms_spread
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_13_atoms_spread (1 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_13_atoms_spread (2 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_13_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_13_atoms_fused spline and spread (2 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_1_atom_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_1_atom_spline (1 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_1_atom_spline (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_1_atom_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_1_atom_spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_1_atom_fused spline and spread
@@ -15138,13 +15171,13 @@
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_2_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_2_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_spline (2 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_spline (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_spread (2 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_fused spline and spread (2 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_1_atom_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_1_atom_spline (1 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_1_atom_spline (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_1_atom_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_1_atom_spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_1_atom_fused spline and spread
@@ -15156,7 +15189,7 @@
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_2_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_2_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_spline (2 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_spline (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_spread (2 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_fused spline and spread
@@ -15192,11 +15225,11 @@
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_2_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_2_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_spline (1 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_spline (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_fused spline and spread
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_fused spline and spread (0 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_fused spline and spread (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_1_atom_spline
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_1_atom_spline (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_1_atom_spread
@@ -15246,7 +15279,7 @@
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_2_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_2_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_spline (2 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_spline (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_spread (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_fused spline and spread
@@ -15264,12 +15297,12 @@
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_2_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_2_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_spline (2 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_spline (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_spread (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_fused spline and spread (1 ms)
-31: [----------] 108 tests from Pme_SplineAndSpreadTest (119 ms total)
+31: [----------] 108 tests from Pme_SplineAndSpreadTest (102 ms total)
 31: 
 31: [----------] 64 tests from Pme_SolveTest
 31: [ RUN      ] Pme_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_XYZ_
@@ -15528,7 +15561,7 @@
 31: [       OK ] Pme_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_2_ewaldlj_0_7_LJ_order_YZX_ (0 ms)
 31: [ RUN      ] Pme_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_2_ewaldlj_0_7_LJ_order_YZX_energy
 31: [       OK ] Pme_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_2_ewaldlj_0_7_LJ_order_YZX_energy (0 ms)
-31: [----------] 64 tests from Pme_SolveTest (11 ms total)
+31: [----------] 64 tests from Pme_SolveTest (8 ms total)
 31: 
 31: [----------] 32 tests from PmeDiffEwaldQ_SolveTest
 31: [ RUN      ] PmeDiffEwaldQ_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_0_4_ewaldlj_0_7_Coulomb_order_XYZ_
@@ -15659,7 +15692,7 @@
 31: [       OK ] PmeDiffEwaldQ_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_0_4_ewaldlj_0_7_Coulomb_order_YZX_ (0 ms)
 31: [ RUN      ] PmeDiffEwaldQ_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_0_4_ewaldlj_0_7_Coulomb_order_YZX_energy
 31: [       OK ] PmeDiffEwaldQ_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_0_4_ewaldlj_0_7_Coulomb_order_YZX_energy (0 ms)
-31: [----------] 32 tests from PmeDiffEwaldQ_SolveTest (3 ms total)
+31: [----------] 32 tests from PmeDiffEwaldQ_SolveTest (2 ms total)
 31: 
 31: [----------] 32 tests from PmeDiffEwaldLJ_SolveTest
 31: [ RUN      ] PmeDiffEwaldLJ_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_2_35_LJ_order_XYZ_
@@ -15790,7 +15823,7 @@
 31: [       OK ] PmeDiffEwaldLJ_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_2_ewaldlj_2_35_LJ_order_YZX_ (0 ms)
 31: [ RUN      ] PmeDiffEwaldLJ_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_2_ewaldlj_2_35_LJ_order_YZX_energy
 31: [       OK ] PmeDiffEwaldLJ_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_2_ewaldlj_2_35_LJ_order_YZX_energy (0 ms)
-31: [----------] 32 tests from PmeDiffEwaldLJ_SolveTest (5 ms total)
+31: [----------] 32 tests from PmeDiffEwaldLJ_SolveTest (4 ms total)
 31: 
 31: [----------] 64 tests from PmeDiffEps_SolveTest
 31: [ RUN      ] PmeDiffEps_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_9_ewaldq_2_ewaldlj_0_7_Coulomb_order_XYZ_
@@ -16049,7 +16082,7 @@
 31: [       OK ] PmeDiffEps_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_YZX_ (0 ms)
 31: [ RUN      ] PmeDiffEps_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_YZX_energy
 31: [       OK ] PmeDiffEps_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_YZX_energy (0 ms)
-31: [----------] 64 tests from PmeDiffEps_SolveTest (9 ms total)
+31: [----------] 64 tests from PmeDiffEps_SolveTest (7 ms total)
 31: 
 31: [----------] 72 tests from Pme_GatherTest
 31: [ RUN      ] Pme_GatherTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_gridvalues_first_system_1_atom
@@ -16196,7 +16229,7 @@
 31: [       OK ] Pme_GatherTest.WorksOn_CPU_box_tric_order_5_grid_13_15_11_gridvalues_second_system_2_atoms (0 ms)
 31: [ RUN      ] Pme_GatherTest.WorksOn_CPU_box_tric_order_5_grid_13_15_11_gridvalues_second_system_13_atoms
 31: [       OK ] Pme_GatherTest.WorksOn_CPU_box_tric_order_5_grid_13_15_11_gridvalues_second_system_13_atoms (0 ms)
-31: [----------] 72 tests from Pme_GatherTest (11 ms total)
+31: [----------] 72 tests from Pme_GatherTest (10 ms total)
 31: 
 31: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest
 31: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/0
@@ -16215,9 +16248,9 @@
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0
 31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0 (1 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1
-31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 (1 ms)
+31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 (0 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2
-31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2 (1 ms)
+31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2 (0 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3
 31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3 (0 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4
@@ -16225,11 +16258,11 @@
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5
 31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5 (0 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6
-31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 (1 ms)
+31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 (0 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7
 31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7 (1 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8
-31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 (1 ms)
+31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 (0 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9
 31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9 (0 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10
@@ -16260,10 +16293,10 @@
 31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22 (0 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23
 31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 (1 ms)
-31: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest (23 ms total)
+31: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest (20 ms total)
 31: 
 31: [----------] Global test environment tear-down
-31: [==========] 407 tests from 9 test suites ran. (185 ms total)
+31: [==========] 407 tests from 9 test suites ran. (157 ms total)
 31: [  PASSED  ] 311 tests.
 31: [  SKIPPED ] 96 tests, listed below:
 31: [  SKIPPED ] Pme_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_XYZ_
@@ -16362,7 +16395,7 @@
 31: [  SKIPPED ] PmeDiffEps_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_Coulomb_order_XYZ_energy
 31: [  SKIPPED ] PmeDiffEps_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_XYZ_
 31: [  SKIPPED ] PmeDiffEps_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_XYZ_energy
-31/92 Test #31: EwaldUnitTests ............................   Passed    0.22 sec
+31/92 Test #31: EwaldUnitTests ............................   Passed    0.20 sec
 test 32
       Start 32: FFTUnitTests
 
@@ -16373,15 +16406,15 @@
 32: [----------] Global test environment set-up.
 32: [----------] 2 tests from ManyFFTTest
 32: [ RUN      ] ManyFFTTest.Complex1DLength48Multi5Test
-32: [       OK ] ManyFFTTest.Complex1DLength48Multi5Test (2 ms)
+32: [       OK ] ManyFFTTest.Complex1DLength48Multi5Test (6 ms)
 32: [ RUN      ] ManyFFTTest.Real1DLength48Multi5Test
-32: [       OK ] ManyFFTTest.Real1DLength48Multi5Test (4 ms)
-32: [----------] 2 tests from ManyFFTTest (7 ms total)
+32: [       OK ] ManyFFTTest.Real1DLength48Multi5Test (10 ms)
+32: [----------] 2 tests from ManyFFTTest (18 ms total)
 32: 
 32: [----------] 1 test from FFTTest
 32: [ RUN      ] FFTTest.Real2DLength18_15Test
-32: [       OK ] FFTTest.Real2DLength18_15Test (1 ms)
-32: [----------] 1 test from FFTTest (1 ms total)
+32: [       OK ] FFTTest.Real2DLength18_15Test (3 ms)
+32: [----------] 1 test from FFTTest (4 ms total)
 32: 
 32: [----------] 10 tests from 7_8_25_36_60/FFTTest1D
 32: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/0
@@ -16391,32 +16424,32 @@
 32: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/2
 32: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/2 (0 ms)
 32: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/3
-32: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/3 (0 ms)
+32: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/3 (2 ms)
 32: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/4
-32: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/4 (0 ms)
+32: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/4 (1 ms)
 32: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/0
-32: [       OK ] 7_8_25_36_60/FFTTest1D.Real/0 (0 ms)
+32: [       OK ] 7_8_25_36_60/FFTTest1D.Real/0 (1 ms)
 32: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/1
 32: [       OK ] 7_8_25_36_60/FFTTest1D.Real/1 (0 ms)
 32: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/2
 32: [       OK ] 7_8_25_36_60/FFTTest1D.Real/2 (0 ms)
 32: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/3
-32: [       OK ] 7_8_25_36_60/FFTTest1D.Real/3 (2 ms)
+32: [       OK ] 7_8_25_36_60/FFTTest1D.Real/3 (4 ms)
 32: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/4
-32: [       OK ] 7_8_25_36_60/FFTTest1D.Real/4 (3 ms)
-32: [----------] 10 tests from 7_8_25_36_60/FFTTest1D (8 ms total)
+32: [       OK ] 7_8_25_36_60/FFTTest1D.Real/4 (6 ms)
+32: [----------] 10 tests from 7_8_25_36_60/FFTTest1D (19 ms total)
 32: 
 32: [----------] 2 tests from Works/ParameterizedFFTTest3D
 32: [ RUN      ] Works/ParameterizedFFTTest3D.RunsOnHost/5_6_9
-32: [       OK ] Works/ParameterizedFFTTest3D.RunsOnHost/5_6_9 (0 ms)
+32: [       OK ] Works/ParameterizedFFTTest3D.RunsOnHost/5_6_9 (1 ms)
 32: [ RUN      ] Works/ParameterizedFFTTest3D.RunsOnHost/5_5_10
 32: [       OK ] Works/ParameterizedFFTTest3D.RunsOnHost/5_5_10 (0 ms)
-32: [----------] 2 tests from Works/ParameterizedFFTTest3D (1 ms total)
+32: [----------] 2 tests from Works/ParameterizedFFTTest3D (2 ms total)
 32: 
 32: [----------] Global test environment tear-down
-32: [==========] 15 tests from 4 test suites ran. (19 ms total)
+32: [==========] 15 tests from 4 test suites ran. (43 ms total)
 32: [  PASSED  ] 15 tests.
-32/92 Test #32: FFTUnitTests ..............................   Passed    0.04 sec
+32/92 Test #32: FFTUnitTests ..............................   Passed    0.08 sec
 test 33
       Start 33: GpuUtilsUnitTests
 
@@ -16646,12 +16679,12 @@
 34: [ RUN      ] HardwareTopologyTest.Execute
 34: [       OK ] HardwareTopologyTest.Execute (14 ms)
 34: [ RUN      ] HardwareTopologyTest.HwlocExecute
-34: [       OK ] HardwareTopologyTest.HwlocExecute (14 ms)
+34: [       OK ] HardwareTopologyTest.HwlocExecute (11 ms)
 34: [ RUN      ] HardwareTopologyTest.ProcessorSelfconsistency
-34: [       OK ] HardwareTopologyTest.ProcessorSelfconsistency (12 ms)
+34: [       OK ] HardwareTopologyTest.ProcessorSelfconsistency (11 ms)
 34: [ RUN      ] HardwareTopologyTest.NumaCacheSelfconsistency
-34: [       OK ] HardwareTopologyTest.NumaCacheSelfconsistency (10 ms)
-34: [----------] 4 tests from HardwareTopologyTest (51 ms total)
+34: [       OK ] HardwareTopologyTest.NumaCacheSelfconsistency (9 ms)
+34: [----------] 4 tests from HardwareTopologyTest (47 ms total)
 34: 
 34: [----------] 1 test from DevicesManagerTest
 34: [ RUN      ] DevicesManagerTest.Serialization
@@ -16666,59 +16699,59 @@
 34: 
 34: [----------] 5 tests from XeonE52620/MockHardwareTopologyTest
 34: [ RUN      ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/0
-34: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/0 (4 ms)
+34: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/0 (1 ms)
 34: [ RUN      ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/1
-34: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/1 (1 ms)
+34: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/1 (0 ms)
 34: [ RUN      ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/2
-34: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/2 (1 ms)
+34: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/2 (0 ms)
 34: [ RUN      ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/3
-34: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/3 (1 ms)
+34: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/3 (0 ms)
 34: [ RUN      ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/4
-34: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/4 (1 ms)
-34: [----------] 5 tests from XeonE52620/MockHardwareTopologyTest (10 ms total)
+34: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/4 (0 ms)
+34: [----------] 5 tests from XeonE52620/MockHardwareTopologyTest (3 ms total)
 34: 
 34: [----------] 5 tests from Xeon4116/MockHardwareTopologyTest
 34: [ RUN      ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/0
-34: [       OK ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/0 (3 ms)
+34: [       OK ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/0 (1 ms)
 34: [ RUN      ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/1
-34: [       OK ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/1 (1 ms)
+34: [       OK ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/1 (0 ms)
 34: [ RUN      ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/2
-34: [       OK ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/2 (1 ms)
+34: [       OK ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/2 (0 ms)
 34: [ RUN      ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/3
-34: [       OK ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/3 (1 ms)
+34: [       OK ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/3 (0 ms)
 34: [ RUN      ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/4
 34: [       OK ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/4 (0 ms)
-34: [----------] 5 tests from Xeon4116/MockHardwareTopologyTest (9 ms total)
+34: [----------] 5 tests from Xeon4116/MockHardwareTopologyTest (3 ms total)
 34: 
 34: [----------] 2 tests from Core12900K/MockHardwareTopologyTest
 34: [ RUN      ] Core12900K/MockHardwareTopologyTest.DetectsHardware/0
-34: [       OK ] Core12900K/MockHardwareTopologyTest.DetectsHardware/0 (1 ms)
+34: [       OK ] Core12900K/MockHardwareTopologyTest.DetectsHardware/0 (0 ms)
 34: [ RUN      ] Core12900K/MockHardwareTopologyTest.DetectsHardware/1
-34: [       OK ] Core12900K/MockHardwareTopologyTest.DetectsHardware/1 (2 ms)
-34: [----------] 2 tests from Core12900K/MockHardwareTopologyTest (4 ms total)
+34: [       OK ] Core12900K/MockHardwareTopologyTest.DetectsHardware/1 (0 ms)
+34: [----------] 2 tests from Core12900K/MockHardwareTopologyTest (1 ms total)
 34: 
 34: [----------] 1 test from Core12900K/MockHardwareTopologySpecialSystemTest
 34: [ RUN      ] Core12900K/MockHardwareTopologySpecialSystemTest.DetectsHardware/0
-34: [       OK ] Core12900K/MockHardwareTopologySpecialSystemTest.DetectsHardware/0 (5 ms)
-34: [----------] 1 test from Core12900K/MockHardwareTopologySpecialSystemTest (5 ms total)
+34: [       OK ] Core12900K/MockHardwareTopologySpecialSystemTest.DetectsHardware/0 (0 ms)
+34: [----------] 1 test from Core12900K/MockHardwareTopologySpecialSystemTest (1 ms total)
 34: 
 34: [----------] 1 test from Power9/MockHardwareTopologySpecialSystemTest
 34: [ RUN      ] Power9/MockHardwareTopologySpecialSystemTest.DetectsHardware/0
-34: [       OK ] Power9/MockHardwareTopologySpecialSystemTest.DetectsHardware/0 (4 ms)
-34: [----------] 1 test from Power9/MockHardwareTopologySpecialSystemTest (4 ms total)
+34: [       OK ] Power9/MockHardwareTopologySpecialSystemTest.DetectsHardware/0 (1 ms)
+34: [----------] 1 test from Power9/MockHardwareTopologySpecialSystemTest (1 ms total)
 34: 
 34: [----------] 1 test from A64fx/MockHardwareTopologySpecialSystemTest
 34: [ RUN      ] A64fx/MockHardwareTopologySpecialSystemTest.DetectsHardware/0
-34: [       OK ] A64fx/MockHardwareTopologySpecialSystemTest.DetectsHardware/0 (12 ms)
-34: [----------] 1 test from A64fx/MockHardwareTopologySpecialSystemTest (13 ms total)
+34: [       OK ] A64fx/MockHardwareTopologySpecialSystemTest.DetectsHardware/0 (1 ms)
+34: [----------] 1 test from A64fx/MockHardwareTopologySpecialSystemTest (2 ms total)
 34: 
 34: [----------] Global test environment tear-down
-34: [==========] 22 tests from 10 test suites ran. (100 ms total)
+34: [==========] 22 tests from 10 test suites ran. (62 ms total)
 34: [  PASSED  ] 22 tests.
 34: 
 34:   YOU HAVE 1 DISABLED TEST
 34: 
-34/92 Test #34: HardwareUnitTests .........................   Passed    0.12 sec
+34/92 Test #34: HardwareUnitTests .........................   Passed    0.09 sec
 test 35
       Start 35: MathUnitTests
 
@@ -16782,7 +16815,7 @@
 35: [       OK ] ComplexNumberTest.ComplexConjugate (0 ms)
 35: [ RUN      ] ComplexNumberTest.ComplexAbs2
 35: [       OK ] ComplexNumberTest.ComplexAbs2 (0 ms)
-35: [----------] 8 tests from ComplexNumberTest (2 ms total)
+35: [----------] 8 tests from ComplexNumberTest (1 ms total)
 35: 
 35: [----------] 11 tests from TranslateAndScaleTest
 35: [ RUN      ] TranslateAndScaleTest.identityTransformation
@@ -16836,9 +16869,9 @@
 35: [ RUN      ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect
 35: [       OK ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect (0 ms)
 35: [ RUN      ] DensitySimilarityTest.CrossCorrelationIsOne
-35: [       OK ] DensitySimilarityTest.CrossCorrelationIsOne (35 ms)
+35: [       OK ] DensitySimilarityTest.CrossCorrelationIsOne (29 ms)
 35: [ RUN      ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated
-35: [       OK ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated (25 ms)
+35: [       OK ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated (22 ms)
 35: [ RUN      ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated
 35: [       OK ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated (1 ms)
 35: [ RUN      ] DensitySimilarityTest.CrossCorrelationGradientIsCorrect
@@ -16847,7 +16880,7 @@
 35: [       OK ] DensitySimilarityTest.NormalizationCorrect (0 ms)
 35: [ RUN      ] DensitySimilarityTest.NormalizationAllNonPositive
 35: [       OK ] DensitySimilarityTest.NormalizationAllNonPositive (0 ms)
-35: [----------] 14 tests from DensitySimilarityTest (63 ms total)
+35: [----------] 14 tests from DensitySimilarityTest (53 ms total)
 35: 
 35: [----------] 6 tests from StructureSimilarityTest
 35: [ RUN      ] StructureSimilarityTest.StructureComparedToSelfHasZeroRMSD
@@ -16926,7 +16959,7 @@
 35: [       OK ] FunctionTest.ErfAndErfInvAreInversesFloat (0 ms)
 35: [ RUN      ] FunctionTest.ErfAndErfInvAreInversesDouble
 35: [       OK ] FunctionTest.ErfAndErfInvAreInversesDouble (0 ms)
-35: [----------] 21 tests from FunctionTest (2 ms total)
+35: [----------] 21 tests from FunctionTest (1 ms total)
 35: 
 35: [----------] 2 tests from FunctionTestIntegerTypes/0, where TypeParam = signed char
 35: [ RUN      ] FunctionTestIntegerTypes/0.IsPowerOfTwo
@@ -17166,10 +17199,10 @@
 35: 
 35: [----------] 2 tests from NelderMead
 35: [ RUN      ] NelderMead.Optimizes2DFunctionCorrectly
-35: [       OK ] NelderMead.Optimizes2DFunctionCorrectly (18 ms)
+35: [       OK ] NelderMead.Optimizes2DFunctionCorrectly (14 ms)
 35: [ RUN      ] NelderMead.Optimizes3DFunctorCorrectly
 35: [       OK ] NelderMead.Optimizes3DFunctorCorrectly (0 ms)
-35: [----------] 2 tests from NelderMead (18 ms total)
+35: [----------] 2 tests from NelderMead (14 ms total)
 35: 
 35: [----------] 11 tests from PaddedVectorTest/0, where TypeParam = std::allocator<int>
 35: [ RUN      ] PaddedVectorTest/0.DefaultConstructorWorks
@@ -17507,9 +17540,9 @@
 35: [----------] 41 tests from RVecTest (0 ms total)
 35: 
 35: [----------] Global test environment tear-down
-35: [==========] 328 tests from 41 test suites ran. (90 ms total)
+35: [==========] 328 tests from 41 test suites ran. (73 ms total)
 35: [  PASSED  ] 328 tests.
-35/92 Test #35: MathUnitTests .............................   Passed    0.12 sec
+35/92 Test #35: MathUnitTests .............................   Passed    0.10 sec
 test 36
       Start 36: MdrunUtilityUnitTests
 
@@ -17553,12 +17586,12 @@
 36: [ RUN      ] ThreadAffinityTest.PinsSingleThreadWhenForced
 36: [       OK ] ThreadAffinityTest.PinsSingleThreadWhenForced (0 ms)
 36: [ RUN      ] ThreadAffinityTest.PinsSingleThreadWithOffsetWhenForced
-36: [       OK ] ThreadAffinityTest.PinsSingleThreadWithOffsetWhenForced (0 ms)
+36: [       OK ] ThreadAffinityTest.PinsSingleThreadWithOffsetWhenForced (3 ms)
 36: [ RUN      ] ThreadAffinityTest.HandlesPinningFailureWithSingleThread
 36: NOTE: Affinity setting failed.
 36: [       OK ] ThreadAffinityTest.HandlesPinningFailureWithSingleThread (0 ms)
 36: [ RUN      ] ThreadAffinityTest.PinsMultipleThreadsWithAuto
-36: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithAuto (0 ms)
+36: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithAuto (1 ms)
 36: [ RUN      ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced
 36: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced (0 ms)
 36: [ RUN      ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads
@@ -17566,12 +17599,12 @@
 36: [ RUN      ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing
 36: NOTE: Affinity setting for 1/2 threads failed.
 36: [       OK ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing (0 ms)
-36: [----------] 17 tests from ThreadAffinityTest (1 ms total)
+36: [----------] 17 tests from ThreadAffinityTest (9 ms total)
 36: 
 36: [----------] Global test environment tear-down
-36: [==========] 21 tests from 2 test suites ran. (1 ms total)
+36: [==========] 21 tests from 2 test suites ran. (9 ms total)
 36: [  PASSED  ] 21 tests.
-36/92 Test #36: MdrunUtilityUnitTests .....................   Passed    0.01 sec
+36/92 Test #36: MdrunUtilityUnitTests .....................   Passed    0.03 sec
 test 37
       Start 37: MdrunUtilityMpiUnitTests
 
@@ -17592,30 +17625,30 @@
 37: [ RUN      ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto
 37: [       OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto (1 ms)
 37: [ RUN      ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce
-37: [       OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce (1 ms)
-37: [----------] 6 tests from ThreadAffinityMultiRankTest (9 ms total)
+37: [       OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce (39 ms)
+37: [----------] 6 tests from ThreadAffinityMultiRankTest (48 ms total)
 37: 
 37: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest
 37: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsOnMainOnly
-37: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnMainOnly (1 ms)
+37: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnMainOnly (59 ms)
 37: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMainOnly
-37: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMainOnly (1 ms)
+37: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMainOnly (8 ms)
 37: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMain
-37: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMain (1 ms)
+37: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMain (5 ms)
 37: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMainOnly
 37: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMainOnly (1 ms)
 37: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMainOnly
-37: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMainOnly (1 ms)
+37: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMainOnly (8 ms)
 37: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMainOnly
 37: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMainOnly (1 ms)
 37: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMainOnly
 37: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMainOnly (1 ms)
-37: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest (10 ms total)
+37: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest (87 ms total)
 37: 
 37: [----------] Global test environment tear-down
-37: [==========] 13 tests from 2 test suites ran. (20 ms total)
+37: [==========] 13 tests from 2 test suites ran. (135 ms total)
 37: [  PASSED  ] 13 tests.
-37/92 Test #37: MdrunUtilityMpiUnitTests ..................   Passed    0.04 sec
+37/92 Test #37: MdrunUtilityMpiUnitTests ..................   Passed    0.16 sec
 test 38
       Start 38: MDSpanTests
 
@@ -17748,7 +17781,7 @@
 39: [       OK ] CheckpointDataTest.SingleDataTest (1 ms)
 39: [ RUN      ] CheckpointDataTest.MultiDataTest
 39: [       OK ] CheckpointDataTest.MultiDataTest (6 ms)
-39: [----------] 2 tests from CheckpointDataTest (7 ms total)
+39: [----------] 2 tests from CheckpointDataTest (8 ms total)
 39: 
 39: [----------] 7 tests from ForceBuffers
 39: [ RUN      ] ForceBuffers.ConstructsUnpinned
@@ -17961,7 +17994,7 @@
 40: [       OK ] TextTableFormatterTest.HandlesLastColumnFolding (0 ms)
 40: [ RUN      ] TextTableFormatterTest.HandlesEmptyColumns
 40: [       OK ] TextTableFormatterTest.HandlesEmptyColumns (0 ms)
-40: [----------] 6 tests from TextTableFormatterTest (2 ms total)
+40: [----------] 6 tests from TextTableFormatterTest (0 ms total)
 40: 
 40: [----------] 3 tests from HelpManagerTest
 40: [ RUN      ] HelpManagerTest.HandlesRootTopic
@@ -18002,10 +18035,10 @@
 40: [       OK ] HelpWriterContextTest.FormatsGridTable (0 ms)
 40: [ RUN      ] HelpWriterContextTest.FormatsTitles
 40: [       OK ] HelpWriterContextTest.FormatsTitles (0 ms)
-40: [----------] 11 tests from HelpWriterContextTest (3 ms total)
+40: [----------] 11 tests from HelpWriterContextTest (1 ms total)
 40: 
 40: [----------] Global test environment tear-down
-40: [==========] 22 tests from 4 test suites ran. (7 ms total)
+40: [==========] 22 tests from 4 test suites ran. (3 ms total)
 40: [  PASSED  ] 22 tests.
 40/92 Test #40: OnlineHelpUnitTests .......................   Passed    0.03 sec
 test 41
@@ -18275,7 +18308,7 @@
 41: [       OK ] TreeValueSupportAdjustTest.MergesDefaultValues (0 ms)
 41: [ RUN      ] TreeValueSupportAdjustTest.OrdersValues
 41: [       OK ] TreeValueSupportAdjustTest.OrdersValues (0 ms)
-41: [----------] 6 tests from TreeValueSupportAdjustTest (2 ms total)
+41: [----------] 6 tests from TreeValueSupportAdjustTest (0 ms total)
 41: 
 41: [----------] 7 tests from TreeValueSupportTest
 41: [ RUN      ] TreeValueSupportTest.SupportsBooleanOption
@@ -18292,10 +18325,10 @@
 41: [       OK ] TreeValueSupportTest.SupportsDoubleOption (0 ms)
 41: [ RUN      ] TreeValueSupportTest.SupportsEnumOption
 41: [       OK ] TreeValueSupportTest.SupportsEnumOption (0 ms)
-41: [----------] 7 tests from TreeValueSupportTest (2 ms total)
+41: [----------] 7 tests from TreeValueSupportTest (0 ms total)
 41: 
 41: [----------] Global test environment tear-down
-41: [==========] 112 tests from 18 test suites ran. (7 ms total)
+41: [==========] 112 tests from 18 test suites ran. (6 ms total)
 41: [  PASSED  ] 112 tests.
 41/92 Test #41: OptionsUnitTests ..........................   Passed    0.03 sec
 test 42
@@ -18320,7 +18353,7 @@
 42: 
 42: [----------] 5 tests from PbcTest
 42: [ RUN      ] PbcTest.CalcShiftsWorks
-42: [       OK ] PbcTest.CalcShiftsWorks (1 ms)
+42: [       OK ] PbcTest.CalcShiftsWorks (0 ms)
 42: [ RUN      ] PbcTest.PutAtomsInCubicBoxAlreadyInBox
 42: [       OK ] PbcTest.PutAtomsInCubicBoxAlreadyInBox (0 ms)
 42: [ RUN      ] PbcTest.PutAtomsInCubicBoxFromOutsideBox
@@ -18329,7 +18362,7 @@
 42: [       OK ] PbcTest.PutAtomsInTriclinicBoxFromOutsideBox (0 ms)
 42: [ RUN      ] PbcTest.PutAtomsInBoxHandlesInf
 42: [       OK ] PbcTest.PutAtomsInBoxHandlesInf (0 ms)
-42: [----------] 5 tests from PbcTest (1 ms total)
+42: [----------] 5 tests from PbcTest (0 ms total)
 42: 
 42: [----------] 2 tests from PbcEnumsTest
 42: [ RUN      ] PbcEnumsTest.CenteringTypeNamesAreCorrect
@@ -18393,10 +18426,10 @@
 42: [       OK ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/25 (0 ms)
 42: [ RUN      ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/26
 42: [       OK ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/26 (0 ms)
-42: [----------] 27 tests from CorrectCoordinates/COMInPlaceTest (11 ms total)
+42: [----------] 27 tests from CorrectCoordinates/COMInPlaceTest (7 ms total)
 42: 
 42: [----------] Global test environment tear-down
-42: [==========] 37 tests from 5 test suites ran. (12 ms total)
+42: [==========] 37 tests from 5 test suites ran. (8 ms total)
 42: [  PASSED  ] 37 tests.
 42/92 Test #42: PbcutilUnitTest ...........................   Passed    0.03 sec
 test 43
@@ -18523,12 +18556,12 @@
 43: [       OK ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/1 (0 ms)
 43: [ RUN      ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/2
 43: [       OK ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/2 (0 ms)
-43: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test (1 ms total)
+43: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test (0 ms total)
 43: 
 43: [----------] Global test environment tear-down
-43: [==========] 44 tests from 10 test suites ran. (6 ms total)
+43: [==========] 44 tests from 10 test suites ran. (2 ms total)
 43: [  PASSED  ] 44 tests.
-43/92 Test #43: RandomUnitTests ...........................   Passed    0.03 sec
+43/92 Test #43: RandomUnitTests ...........................   Passed    0.02 sec
 test 44
       Start 44: RestraintTests
 
@@ -18560,7 +18593,7 @@
 45: [ RUN      ] SplineTableTest/0.Sinc
 45: [       OK ] SplineTableTest/0.Sinc (0 ms)
 45: [ RUN      ] SplineTableTest/0.LJ12
-45: [       OK ] SplineTableTest/0.LJ12 (11 ms)
+45: [       OK ] SplineTableTest/0.LJ12 (15 ms)
 45: [ RUN      ] SplineTableTest/0.PmeCorrection
 45: [       OK ] SplineTableTest/0.PmeCorrection (0 ms)
 45: [ RUN      ] SplineTableTest/0.HandlesIncorrectNumericalInput
@@ -18568,14 +18601,14 @@
 45: [ RUN      ] SplineTableTest/0.NumericalInputPmeCorr
 45: [       OK ] SplineTableTest/0.NumericalInputPmeCorr (0 ms)
 45: [ RUN      ] SplineTableTest/0.TwoFunctions
-45: [       OK ] SplineTableTest/0.TwoFunctions (17 ms)
+45: [       OK ] SplineTableTest/0.TwoFunctions (15 ms)
 45: [ RUN      ] SplineTableTest/0.ThreeFunctions
-45: [       OK ] SplineTableTest/0.ThreeFunctions (16 ms)
+45: [       OK ] SplineTableTest/0.ThreeFunctions (14 ms)
 45: [ RUN      ] SplineTableTest/0.Simd
 45: [       OK ] SplineTableTest/0.Simd (2 ms)
 45: [ RUN      ] SplineTableTest/0.SimdTwoFunctions
-45: [       OK ] SplineTableTest/0.SimdTwoFunctions (11 ms)
-45: [----------] 10 tests from SplineTableTest/0 (64 ms total)
+45: [       OK ] SplineTableTest/0.SimdTwoFunctions (10 ms)
+45: [----------] 10 tests from SplineTableTest/0 (63 ms total)
 45: 
 45: [----------] 10 tests from SplineTableTest/1, where TypeParam = gmx::CubicSplineTable
 45: [ RUN      ] SplineTableTest/1.HandlesIncorrectInput
@@ -18601,7 +18634,7 @@
 45: [----------] 10 tests from SplineTableTest/1 (7 ms total)
 45: 
 45: [----------] Global test environment tear-down
-45: [==========] 20 tests from 2 test suites ran. (72 ms total)
+45: [==========] 20 tests from 2 test suites ran. (71 ms total)
 45: [  PASSED  ] 20 tests.
 45/92 Test #45: TableUnitTests ............................   Passed    0.09 sec
 test 46
@@ -18627,7 +18660,7 @@
 46: [----------] Global test environment tear-down
 46: [==========] 3 tests from 2 test suites ran. (0 ms total)
 46: [  PASSED  ] 3 tests.
-46/92 Test #46: TaskAssignmentUnitTests ...................   Passed    0.01 sec
+46/92 Test #46: TaskAssignmentUnitTests ...................   Passed    0.02 sec
 test 47
       Start 47: GmxTimingTests
 
@@ -18654,7 +18687,7 @@
 47: [----------] Global test environment tear-down
 47: [==========] 6 tests from 1 test suite ran. (1 ms total)
 47: [  PASSED  ] 6 tests.
-47/92 Test #47: GmxTimingTests ............................   Passed    0.02 sec
+47/92 Test #47: GmxTimingTests ............................   Passed    0.01 sec
 test 48
       Start 48: TopologyTest
 
@@ -18708,7 +18741,7 @@
 48:          be removed in a future GROMACS version. Please, consider
 48:          using another file format for your input.
 48: 
-48: [       OK ] IndexTest.AnalyseWorksDefaultGroups (6 ms)
+48: [       OK ] IndexTest.AnalyseWorksDefaultGroups (4 ms)
 48: [ RUN      ] IndexTest.WriteIndexWorks
 48: 
 48: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -18732,8 +18765,8 @@
 48:          be removed in a future GROMACS version. Please, consider
 48:          using another file format for your input.
 48: 
-48: [       OK ] IndexTest.WriteAndReadIndexWorks (4 ms)
-48: [----------] 3 tests from IndexTest (15 ms total)
+48: [       OK ] IndexTest.WriteAndReadIndexWorks (2 ms)
+48: [----------] 3 tests from IndexTest (12 ms total)
 48: 
 48: [----------] 4 tests from MtopTest
 48: [ RUN      ] MtopTest.RangeBasedLoop
@@ -18755,7 +18788,7 @@
 48: 
 48: [----------] 13 tests from StringTableTest
 48: [ RUN      ] StringTableTest.AddSingleEntry
-48: [       OK ] StringTableTest.AddSingleEntry (1 ms)
+48: [       OK ] StringTableTest.AddSingleEntry (0 ms)
 48: [ RUN      ] StringTableTest.CanAccessWithAt
 48: [       OK ] StringTableTest.CanAccessWithAt (0 ms)
 48: [ RUN      ] StringTableTest.CanAccessWithBracket
@@ -18780,7 +18813,7 @@
 48: [       OK ] StringTableTest.RoundtripWithCorrectStringIndices (0 ms)
 48: [ RUN      ] StringTableTest.CanCopyToLegacyTable
 48: [       OK ] StringTableTest.CanCopyToLegacyTable (0 ms)
-48: [----------] 13 tests from StringTableTest (5 ms total)
+48: [----------] 13 tests from StringTableTest (3 ms total)
 48: 
 48: [----------] 6 tests from LegacySymtabTest
 48: [ RUN      ] LegacySymtabTest.EmptyOnOpen
@@ -18795,7 +18828,7 @@
 48: [       OK ] LegacySymtabTest.AddLargeNumberOfEntries (0 ms)
 48: [ RUN      ] LegacySymtabTest.NoDuplicatesInLargeTable
 48: [       OK ] LegacySymtabTest.NoDuplicatesInLargeTable (0 ms)
-48: [----------] 6 tests from LegacySymtabTest (0 ms total)
+48: [----------] 6 tests from LegacySymtabTest (1 ms total)
 48: 
 48: [----------] 5 tests from TopSortTest
 48: [ RUN      ] TopSortTest.WorksOnEmptyIdef
@@ -19027,15 +19060,15 @@
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/52 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/53
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/53 (0 ms)
-48: [----------] 108 tests from BuildsValidDataStructure/SimulationParticleTest (27 ms total)
+48: [----------] 108 tests from BuildsValidDataStructure/SimulationParticleTest (8 ms total)
 48: 
 48: [----------] Global test environment tear-down
-48: [==========] 153 tests from 10 test suites ran. (49 ms total)
+48: [==========] 153 tests from 10 test suites ran. (27 ms total)
 48: [  PASSED  ] 153 tests.
 48: 
 48:   YOU HAVE 1 DISABLED TEST
 48: 
-48/92 Test #48: TopologyTest ..............................   Passed    0.08 sec
+48/92 Test #48: TopologyTest ..............................   Passed    0.05 sec
 test 49
       Start 49: PullTest
 
@@ -19056,7 +19089,7 @@
 49: [ RUN      ] PullTest.MaxPullDistanceXySkewedBox
 49: [       OK ] PullTest.MaxPullDistanceXySkewedBox (0 ms)
 49: [ RUN      ] PullTest.TransformationCoordSimple
-49: [       OK ] PullTest.TransformationCoordSimple (1 ms)
+49: [       OK ] PullTest.TransformationCoordSimple (0 ms)
 49: [ RUN      ] PullTest.TransformationCoordAdvanced
 49: [       OK ] PullTest.TransformationCoordAdvanced (0 ms)
 49: [ RUN      ] PullTest.TransformationCoordTime
@@ -19065,12 +19098,12 @@
 49: [       OK ] PullTest.TransformationCoordTimeNotAllowed (0 ms)
 49: [ RUN      ] PullTest.TransformationCoordDummyExpression
 49: [       OK ] PullTest.TransformationCoordDummyExpression (0 ms)
-49: [----------] 10 tests from PullTest (3 ms total)
+49: [----------] 10 tests from PullTest (0 ms total)
 49: 
 49: [----------] Global test environment tear-down
-49: [==========] 10 tests from 1 test suite ran. (3 ms total)
+49: [==========] 10 tests from 1 test suite ran. (0 ms total)
 49: [  PASSED  ] 10 tests.
-49/92 Test #49: PullTest ..................................   Passed    0.02 sec
+49/92 Test #49: PullTest ..................................   Passed    0.01 sec
 test 50
       Start 50: SimdUnitTests
 
@@ -19459,7 +19492,7 @@
 50: 
 50: [----------] 56 tests from SimdMathTest
 50: [ RUN      ] SimdMathTest.generateTestPointsFloat
-50: [       OK ] SimdMathTest.generateTestPointsFloat (1 ms)
+50: [       OK ] SimdMathTest.generateTestPointsFloat (0 ms)
 50: [ RUN      ] SimdMathTest.copysign
 50: [       OK ] SimdMathTest.copysign (0 ms)
 50: [ RUN      ] SimdMathTest.invsqrt
@@ -19473,23 +19506,23 @@
 50: [ RUN      ] SimdMathTest.sqrtUnsafe
 50: [       OK ] SimdMathTest.sqrtUnsafe (0 ms)
 50: [ RUN      ] SimdMathTest.inv
-50: [       OK ] SimdMathTest.inv (1 ms)
+50: [       OK ] SimdMathTest.inv (0 ms)
 50: [ RUN      ] SimdMathTest.maskzInv
 50: [       OK ] SimdMathTest.maskzInv (0 ms)
 50: [ RUN      ] SimdMathTest.cbrt
 50: [       OK ] SimdMathTest.cbrt (0 ms)
 50: [ RUN      ] SimdMathTest.invcbrt
-50: [       OK ] SimdMathTest.invcbrt (1 ms)
+50: [       OK ] SimdMathTest.invcbrt (0 ms)
 50: [ RUN      ] SimdMathTest.log2
 50: [       OK ] SimdMathTest.log2 (0 ms)
 50: [ RUN      ] SimdMathTest.log
 50: [       OK ] SimdMathTest.log (0 ms)
 50: [ RUN      ] SimdMathTest.exp2
-50: [       OK ] SimdMathTest.exp2 (1 ms)
+50: [       OK ] SimdMathTest.exp2 (0 ms)
 50: [ RUN      ] SimdMathTest.exp2Unsafe
 50: [       OK ] SimdMathTest.exp2Unsafe (0 ms)
 50: [ RUN      ] SimdMathTest.exp
-50: [       OK ] SimdMathTest.exp (1 ms)
+50: [       OK ] SimdMathTest.exp (0 ms)
 50: [ RUN      ] SimdMathTest.expUnsafe
 50: [       OK ] SimdMathTest.expUnsafe (0 ms)
 50: [ RUN      ] SimdMathTest.pow
@@ -19501,11 +19534,11 @@
 50: [ RUN      ] SimdMathTest.erfc
 50: [       OK ] SimdMathTest.erfc (0 ms)
 50: [ RUN      ] SimdMathTest.sin
-50: [       OK ] SimdMathTest.sin (1 ms)
+50: [       OK ] SimdMathTest.sin (0 ms)
 50: [ RUN      ] SimdMathTest.cos
 50: [       OK ] SimdMathTest.cos (0 ms)
 50: [ RUN      ] SimdMathTest.tan
-50: [       OK ] SimdMathTest.tan (1 ms)
+50: [       OK ] SimdMathTest.tan (0 ms)
 50: [ RUN      ] SimdMathTest.asin
 50: [       OK ] SimdMathTest.asin (0 ms)
 50: [ RUN      ] SimdMathTest.acos
@@ -19527,21 +19560,21 @@
 50: [ RUN      ] SimdMathTest.sqrtSingleAccuracyUnsafe
 50: [       OK ] SimdMathTest.sqrtSingleAccuracyUnsafe (0 ms)
 50: [ RUN      ] SimdMathTest.invSingleAccuracy
-50: [       OK ] SimdMathTest.invSingleAccuracy (1 ms)
+50: [       OK ] SimdMathTest.invSingleAccuracy (0 ms)
 50: [ RUN      ] SimdMathTest.cbrtSingleAccuracy
 50: [       OK ] SimdMathTest.cbrtSingleAccuracy (0 ms)
 50: [ RUN      ] SimdMathTest.invcbrtSingleAccuracy
-50: [       OK ] SimdMathTest.invcbrtSingleAccuracy (1 ms)
+50: [       OK ] SimdMathTest.invcbrtSingleAccuracy (0 ms)
 50: [ RUN      ] SimdMathTest.log2SingleAccuracy
 50: [       OK ] SimdMathTest.log2SingleAccuracy (0 ms)
 50: [ RUN      ] SimdMathTest.logSingleAccuracy
 50: [       OK ] SimdMathTest.logSingleAccuracy (0 ms)
 50: [ RUN      ] SimdMathTest.exp2SingleAccuracy
-50: [       OK ] SimdMathTest.exp2SingleAccuracy (1 ms)
+50: [       OK ] SimdMathTest.exp2SingleAccuracy (0 ms)
 50: [ RUN      ] SimdMathTest.exp2SingleAccuracyUnsafe
 50: [       OK ] SimdMathTest.exp2SingleAccuracyUnsafe (0 ms)
 50: [ RUN      ] SimdMathTest.expSingleAccuracy
-50: [       OK ] SimdMathTest.expSingleAccuracy (1 ms)
+50: [       OK ] SimdMathTest.expSingleAccuracy (0 ms)
 50: [ RUN      ] SimdMathTest.expSingleAccuracyUnsafe
 50: [       OK ] SimdMathTest.expSingleAccuracyUnsafe (0 ms)
 50: [ RUN      ] SimdMathTest.powSingleAccuracy
@@ -19570,7 +19603,7 @@
 50: [       OK ] SimdMathTest.pmeForceCorrectionSingleAccuracy (0 ms)
 50: [ RUN      ] SimdMathTest.pmePotentialCorrectionSingleAccuracy
 50: [       OK ] SimdMathTest.pmePotentialCorrectionSingleAccuracy (0 ms)
-50: [----------] 56 tests from SimdMathTest (38 ms total)
+50: [----------] 56 tests from SimdMathTest (18 ms total)
 50: 
 50: [----------] 1 test from EmptyArrayRefTest
 50: [ RUN      ] EmptyArrayRefTest.IsEmpty
@@ -19722,9 +19755,9 @@
 50: [----------] 1 test from Simd4VectorOperationsTest (0 ms total)
 50: 
 50: [----------] Global test environment tear-down
-50: [==========] 288 tests from 22 test suites ran. (40 ms total)
+50: [==========] 288 tests from 22 test suites ran. (20 ms total)
 50: [  PASSED  ] 288 tests.
-50/92 Test #50: SimdUnitTests .............................   Passed    0.07 sec
+50/92 Test #50: SimdUnitTests .............................   Passed    0.04 sec
 test 51
       Start 51: CompatibilityHelpersTests
 
@@ -19813,7 +19846,7 @@
 52: Now printing out rotamer occupancies...
 52: Now calculating Chi product trajectories...
 52: 
Printing chiproductLYS1.xvg    and histo-chiprodLYS1.xvg  
Printing chiproductVAL2.xvg    and histo-chiprodVAL2.xvg  
Printing chiproductPHE3.xvg    and histo-chiprodPHE3.xvg  
Printing chiproductARG5.xvg    and histo-chiprodARG5.xvg  
Printing chiproductCYS6.xvg    and histo-chiprodCYS6.xvg  
Printing chiproductGLU7.xvg    and histo-chiprodGLU7.xvg  
Printing chiproductLEU8.xvg    and histo-chiprodLEU8.xvg  
-52: [       OK ] GmxChiTest.gmxchiWorksWithAll (485 ms)
+52: [       OK ] GmxChiTest.gmxchiWorksWithAll (420 ms)
 52: [ RUN      ] GmxChiTest.gmxchiWorksWithr0AndrN
 52: Analyzing from residue 2 to residue 6
 52: 5 residues with dihedrals found
@@ -19828,8 +19861,8 @@
 52: Now printing out rotamer occupancies...
 52: Now calculating Chi product trajectories...
 52: 
Printing chiproductVAL2.xvg    and histo-chiprodVAL2.xvg  
Printing chiproductPHE3.xvg    and histo-chiprodPHE3.xvg  
Printing chiproductARG5.xvg    and histo-chiprodARG5.xvg  
Printing chiproductCYS6.xvg    and histo-chiprodCYS6.xvg  
-52: [       OK ] GmxChiTest.gmxchiWorksWithr0AndrN (205 ms)
-52: [----------] 2 tests from GmxChiTest (758 ms total)
+52: [       OK ] GmxChiTest.gmxchiWorksWithr0AndrN (193 ms)
+52: [----------] 2 tests from GmxChiTest (681 ms total)
 52: 
 52: [----------] 10 tests from MindistTest
 52: [ RUN      ] MindistTest.mindistWorksWithSingleAtoms
@@ -20046,7 +20079,7 @@
 52:          using another file format for your input.
 52: 
 52: Selected 0: 'System'
-52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/1 (0 ms)
+52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/1 (1 ms)
 52: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/2
 52: Group     0 (         System) has     6 elements
 52: Group     1 (          Water) has     6 elements
@@ -20070,7 +20103,7 @@
 52:          using another file format for your input.
 52: 
 52: Selected 0: 'System'
-52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/2 (0 ms)
+52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/2 (1 ms)
 52: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/3
 52: Group     0 (         System) has     6 elements
 52: Group     1 (          Water) has     6 elements
@@ -20117,7 +20150,7 @@
 52:          using another file format for your input.
 52: 
 52: Selected 0: 'System'
-52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/4 (0 ms)
+52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/4 (1 ms)
 52: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/5
 52: Group     0 (         System) has     6 elements
 52: Group     1 (          Water) has     6 elements
@@ -20144,9 +20177,9 @@
 52: [----------] 12 tests from NoFatalErrorWhenWritingFrom/GmxTraj (10 ms total)
 52: 
 52: [----------] Global test environment tear-down
-52: [==========] 31 tests from 4 test suites ran. (779 ms total)
+52: [==========] 31 tests from 4 test suites ran. (702 ms total)
 52: [  PASSED  ] 31 tests.
-52/92 Test #52: GmxAnaTest ................................   Passed    0.80 sec
+52/92 Test #52: GmxAnaTest ................................   Passed    0.73 sec
 test 53
       Start 53: GmxPreprocessTests
 
@@ -20162,11 +20195,11 @@
 53: 
 53: [----------] 4 tests from GenconfTest
 53: [ RUN      ] GenconfTest.nbox_Works
-53: [       OK ] GenconfTest.nbox_Works (1 ms)
+53: [       OK ] GenconfTest.nbox_Works (0 ms)
 53: [ RUN      ] GenconfTest.nbox_norenumber_Works
 53: [       OK ] GenconfTest.nbox_norenumber_Works (0 ms)
 53: [ RUN      ] GenconfTest.nbox_dist_Works
-53: [       OK ] GenconfTest.nbox_dist_Works (1 ms)
+53: [       OK ] GenconfTest.nbox_dist_Works (0 ms)
 53: [ RUN      ] GenconfTest.nbox_rot_Works
 53: center of geometry: 1.733667, 1.477000, 0.905167
 53: center of geometry: 1.733667, 1.477000, 0.905167
@@ -20180,8 +20213,8 @@
 53: center of geometry: 1.733667, 1.477000, 0.905167
 53: center of geometry: 1.733667, 1.477000, 0.905167
 53: center of geometry: 1.733667, 1.477000, 0.905167
-53: [       OK ] GenconfTest.nbox_rot_Works (1 ms)
-53: [----------] 4 tests from GenconfTest (5 ms total)
+53: [       OK ] GenconfTest.nbox_rot_Works (0 ms)
+53: [----------] 4 tests from GenconfTest (3 ms total)
 53: 
 53: [----------] 2 tests from GenionTest
 53: [ RUN      ] GenionTest.HighConcentrationIonPlacement
@@ -20231,7 +20264,7 @@
 53: Replacing solvent molecule 155 (atom 465) with CL
 53: Replacing solvent molecule 99 (atom 297) with CL
 53: 
-53: Setting the LD random seed to 2003809791
+53: Setting the LD random seed to 1442316255
 53: 
 53: Generated 331705 of the 331705 non-bonded parameter combinations
 53: 
@@ -20251,7 +20284,7 @@
 53: Will try to add 4 NA ions and 4 CL ions.
 53: Select a continuous group of solvent molecules
 53: Selected 1: 'Water'
-53: [       OK ] GenionTest.HighConcentrationIonPlacement (192 ms)
+53: [       OK ] GenionTest.HighConcentrationIonPlacement (164 ms)
 53: [ RUN      ] GenionTest.NoIonPlacement
 53: 
 53: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_input.mdp]:
@@ -20283,7 +20316,7 @@
 53: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_spc216_with_methane.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 53: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_spc216_with_methane.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 53: No ions to add, will just copy input configuration.
-53: Setting the LD random seed to 200570875
+53: Setting the LD random seed to 1299161075
 53: 
 53: Generated 331705 of the 331705 non-bonded parameter combinations
 53: 
@@ -20300,8 +20333,8 @@
 53: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 53: 
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] GenionTest.NoIonPlacement (132 ms)
-53: [----------] 2 tests from GenionTest (324 ms total)
+53: [       OK ] GenionTest.NoIonPlacement (134 ms)
+53: [----------] 2 tests from GenionTest (298 ms total)
 53: 
 53: [----------] 1 test from GenRestrTest
 53: [ RUN      ] GenRestrTest.SimpleRestraintsGenerated
@@ -20389,7 +20422,7 @@
 53: 
 53: There were 2 NOTEs
 53: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GromppDirectiveTest_edgeCaseAtomTypeNames_directives.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-53: Setting the LD random seed to -403718209
+53: Setting the LD random seed to -1140885017
 53: 
 53: Generated 10 of the 10 non-bonded parameter combinations
 53: 
@@ -20397,7 +20430,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -1258946991
+53: Setting gen_seed to -85983746
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -20443,7 +20476,7 @@
 53: 
 53: 
 53: There were 3 NOTEs
-53: Setting the LD random seed to -178377240
+53: Setting the LD random seed to -537919786
 53: 
 53: Generated 10 of the 10 non-bonded parameter combinations
 53: 
@@ -20451,7 +20484,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to 1803377643
+53: Setting gen_seed to -243361411
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -20469,7 +20502,7 @@
 53: This run will generate roughly 0 Mb of data
 53: [       OK ] GromppDirectiveTest.NoteOnDihedralNotSumToZero (2 ms)
 53: [ RUN      ] GromppDirectiveTest.WarnOnDihedralSumDifferentForFreeEnergy
-53: Setting the LD random seed to -14680595
+53: Setting the LD random seed to 2146949102
 53: 
 53: Generated 10 of the 10 non-bonded parameter combinations
 53: 
@@ -20477,7 +20510,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -17303793
+53: Setting gen_seed to -536872195
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -20493,8 +20526,8 @@
 53: Note that mdrun will redetermine rlist based on the actual pair-list setup
 53: 
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] GromppDirectiveTest.WarnOnDihedralSumDifferentForFreeEnergy (10 ms)
-53: [----------] 3 tests from GromppDirectiveTest (16 ms total)
+53: [       OK ] GromppDirectiveTest.WarnOnDihedralSumDifferentForFreeEnergy (16 ms)
+53: [----------] 3 tests from GromppDirectiveTest (22 ms total)
 53: 
 53: [----------] 6 tests from InsertMoleculesTest
 53: [ RUN      ] InsertMoleculesTest.InsertsMoleculesIntoExistingConfiguration
@@ -20528,7 +20561,7 @@
 53: Writing generated configuration to /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoExistingConfiguration_out.gro
 53: 
 53: Output configuration contains 8 atoms in 4 residues
-53: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoExistingConfiguration (2 ms)
+53: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoExistingConfiguration (1 ms)
 53: [ RUN      ] InsertMoleculesTest.InsertsMoleculesIntoEmptyBox
 53: Initialising inter-atomic distances...
 53: 
@@ -20563,7 +20596,7 @@
 53: Writing generated configuration to /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoEmptyBox_out.gro
 53: 
 53: Output configuration contains 10 atoms in 10 residues
-53: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoEmptyBox (0 ms)
+53: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoEmptyBox (1 ms)
 53: [ RUN      ] InsertMoleculesTest.InsertsMoleculesIntoEmptyBoxConcentration
 53: Initialising inter-atomic distances...
 53: 
@@ -20598,7 +20631,7 @@
 53: Writing generated configuration to /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoEmptyBoxConcentration_out.gro
 53: 
 53: Output configuration contains 10 atoms in 10 residues
-53: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoEmptyBoxConcentration (0 ms)
+53: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoEmptyBoxConcentration (1 ms)
 53: [ RUN      ] InsertMoleculesTest.InsertsMoleculesIntoEnlargedBox
 53: Reading solute configuration
 53: Initialising inter-atomic distances...
@@ -20667,7 +20700,7 @@
 53: Writing generated configuration to /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesWithReplacement_out.gro
 53: 
 53: Output configuration contains 632 atoms in 212 residues
-53: [       OK ] InsertMoleculesTest.InsertsMoleculesWithReplacement (3 ms)
+53: [       OK ] InsertMoleculesTest.InsertsMoleculesWithReplacement (2 ms)
 53: [ RUN      ] InsertMoleculesTest.InsertsMoleculesIntoFixedPositions
 53: Initialising inter-atomic distances...
 53: 
@@ -20703,8 +20736,8 @@
 53: Writing generated configuration to /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoFixedPositions_out.gro
 53: 
 53: Output configuration contains 6 atoms in 3 residues
-53: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoFixedPositions (1 ms)
-53: [----------] 6 tests from InsertMoleculesTest (10 ms total)
+53: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoFixedPositions (0 ms)
+53: [----------] 6 tests from InsertMoleculesTest (8 ms total)
 53: 
 53: [----------] 3 tests from MassRepartitioning
 53: [ RUN      ] MassRepartitioning.ValidCaseWorks
@@ -20737,20 +20770,20 @@
 53:   For a correct single-point energy evaluation with nsteps = 0, use
 53:   continuation = yes to avoid constraining the input coordinates.
 53: 
-53: [       OK ] GetIrTest.HandlesDifferentKindsOfMdpLines (2 ms)
+53: [       OK ] GetIrTest.HandlesDifferentKindsOfMdpLines (1 ms)
 53: [ RUN      ] GetIrTest.RejectsNonCommentLineWithNoEquals
-53: [       OK ] GetIrTest.RejectsNonCommentLineWithNoEquals (8 ms)
+53: [       OK ] GetIrTest.RejectsNonCommentLineWithNoEquals (4 ms)
 53: [ RUN      ] GetIrTest.AcceptsKeyWithoutValue
 53: 
 53: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsKeyWithoutValue_input.mdp]:
 53:   For a correct single-point energy evaluation with nsteps = 0, use
 53:   continuation = yes to avoid constraining the input coordinates.
 53: 
-53: [       OK ] GetIrTest.AcceptsKeyWithoutValue (2 ms)
+53: [       OK ] GetIrTest.AcceptsKeyWithoutValue (3 ms)
 53: [ RUN      ] GetIrTest.RejectsValueWithoutKey
-53: [       OK ] GetIrTest.RejectsValueWithoutKey (8 ms)
+53: [       OK ] GetIrTest.RejectsValueWithoutKey (5 ms)
 53: [ RUN      ] GetIrTest.RejectsEmptyKeyAndEmptyValue
-53: [       OK ] GetIrTest.RejectsEmptyKeyAndEmptyValue (8 ms)
+53: [       OK ] GetIrTest.RejectsEmptyKeyAndEmptyValue (6 ms)
 53: [ RUN      ] GetIrTest.AcceptsDefineParametersWithValuesIncludingAssignment
 53: 
 53: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsDefineParametersWithValuesIncludingAssignment_input.mdp]:
@@ -20764,7 +20797,7 @@
 53:   For a correct single-point energy evaluation with nsteps = 0, use
 53:   continuation = yes to avoid constraining the input coordinates.
 53: 
-53: [       OK ] GetIrTest.AcceptsEmptyLines (1 ms)
+53: [       OK ] GetIrTest.AcceptsEmptyLines (2 ms)
 53: [ RUN      ] GetIrTest.MtsCheckNstcalcenergy
 53: 
 53: ERROR 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_MtsCheckNstcalcenergy_input.mdp]:
@@ -20821,7 +20854,7 @@
 53:   compressibility must be > 0 when using pressure coupling Berendsen
 53: 
 53: 
-53: [       OK ] GetIrTest.MtsCheckNstpcouple (1 ms)
+53: [       OK ] GetIrTest.MtsCheckNstpcouple (2 ms)
 53: [ RUN      ] GetIrTest.MtsCheckNstdhdl
 53: 
 53: ERROR 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_MtsCheckNstdhdl_input.mdp]:
@@ -20884,14 +20917,14 @@
 53: 
 53: [       OK ] GetIrTest.AcceptsImplicitSolventNo (2 ms)
 53: [ RUN      ] GetIrTest.RejectsImplicitSolventYes
-53: [       OK ] GetIrTest.RejectsImplicitSolventYes (8 ms)
+53: [       OK ] GetIrTest.RejectsImplicitSolventYes (5 ms)
 53: [ RUN      ] GetIrTest.AcceptsMimic
 53: 
 53: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsMimic_input.mdp]:
 53:   For a correct single-point energy evaluation with nsteps = 0, use
 53:   continuation = yes to avoid constraining the input coordinates.
 53: 
-53: [       OK ] GetIrTest.AcceptsMimic (2 ms)
+53: [       OK ] GetIrTest.AcceptsMimic (3 ms)
 53: [ RUN      ] GetIrTest.AcceptsTransformationCoord
 53: 
 53: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsTransformationCoord_input.mdp, line 11]:
@@ -20916,7 +20949,7 @@
 53:   For a correct single-point energy evaluation with nsteps = 0, use
 53:   continuation = yes to avoid constraining the input coordinates.
 53: 
-53: [       OK ] GetIrTest.InvalidTransformationCoordWithConstraint (1 ms)
+53: [       OK ] GetIrTest.InvalidTransformationCoordWithConstraint (2 ms)
 53: [ RUN      ] GetIrTest.InvalidPullCoordWithConstraintInTransformationExpression
 53: 
 53: ERROR 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_InvalidPullCoordWithConstraintInTransformationExpression_input.mdp, line 10]:
@@ -20928,7 +20961,7 @@
 53:   For a correct single-point energy evaluation with nsteps = 0, use
 53:   continuation = yes to avoid constraining the input coordinates.
 53: 
-53: [       OK ] GetIrTest.InvalidPullCoordWithConstraintInTransformationExpression (1 ms)
+53: [       OK ] GetIrTest.InvalidPullCoordWithConstraintInTransformationExpression (2 ms)
 53: [ RUN      ] GetIrTest.InvalidTransformationCoordDxValue
 53: 
 53: ERROR 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_InvalidTransformationCoordDxValue_input.mdp, line 7]:
@@ -20940,7 +20973,7 @@
 53:   For a correct single-point energy evaluation with nsteps = 0, use
 53:   continuation = yes to avoid constraining the input coordinates.
 53: 
-53: [       OK ] GetIrTest.InvalidTransformationCoordDxValue (1 ms)
+53: [       OK ] GetIrTest.InvalidTransformationCoordDxValue (2 ms)
 53: [ RUN      ] GetIrTest.MissingTransformationCoordExpression
 53: 
 53: ERROR 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_MissingTransformationCoordExpression_input.mdp, line 5]:
@@ -20952,11 +20985,11 @@
 53:   For a correct single-point energy evaluation with nsteps = 0, use
 53:   continuation = yes to avoid constraining the input coordinates.
 53: 
-53: [       OK ] GetIrTest.MissingTransformationCoordExpression (1 ms)
+53: [       OK ] GetIrTest.MissingTransformationCoordExpression (2 ms)
 53: [ RUN      ] GetIrTest.lambdaOverOneCheck_SC_And_ExactlyAsManyStep
 53: [       OK ] GetIrTest.lambdaOverOneCheck_SC_And_ExactlyAsManyStep (1 ms)
 53: [ RUN      ] GetIrTest.lambdaOverOneCheck_SC_And_ExactlyAsManyStep_negativeDelta
-53: [       OK ] GetIrTest.lambdaOverOneCheck_SC_And_ExactlyAsManyStep_negativeDelta (1 ms)
+53: [       OK ] GetIrTest.lambdaOverOneCheck_SC_And_ExactlyAsManyStep_negativeDelta (2 ms)
 53: [ RUN      ] GetIrTest.lambdaOverOneCheck_NoSC_And_ExactlyAsManyStep
 53: [       OK ] GetIrTest.lambdaOverOneCheck_NoSC_And_ExactlyAsManyStep (1 ms)
 53: [ RUN      ] GetIrTest.lambdaOverOneCheck_NoSC_And_ExactlyAsManyStep_negativeDelta
@@ -20979,7 +21012,7 @@
 53:   after 100001 steps.
 53: 
 53: 
-53: [       OK ] GetIrTest.lambdaOverOneCheck_SC_And_OneStepTooMuch_negativeDelta (1 ms)
+53: [       OK ] GetIrTest.lambdaOverOneCheck_SC_And_OneStepTooMuch_negativeDelta (2 ms)
 53: [ RUN      ] GetIrTest.lambdaOverOneCheck_NoSC_And_OneStepTooMuch_negativeDelta
 53: 
 53: ERROR 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_lambdaOverOneCheck_NoSC_And_OneStepTooMuch_negativeDelta_input.mdp]:
@@ -21011,7 +21044,7 @@
 53: [       OK ] GetIrTest.lambdaOverOneCheck_LambdaVector_And_ExactlyAsManyStep (1 ms)
 53: [ RUN      ] GetIrTest.lambdaOverOneCheck_LambdaVector_And_ExactlyAsManyStep_negativeDelta
 53: [       OK ] GetIrTest.lambdaOverOneCheck_LambdaVector_And_ExactlyAsManyStep_negativeDelta (1 ms)
-53: [----------] 35 tests from GetIrTest (89 ms total)
+53: [----------] 35 tests from GetIrTest (88 ms total)
 53: 
 53: [----------] 6 tests from SolvateTest
 53: [ RUN      ] SolvateTest.cs_box_Works
@@ -21054,7 +21087,7 @@
 53: Density                :     1056.36 (g/l)
 53: Number of solvent molecules:     47   
 53: 
-53: [       OK ] SolvateTest.cs_box_Works (3 ms)
+53: [       OK ] SolvateTest.cs_box_Works (2 ms)
 53: [ RUN      ] SolvateTest.cs_cp_Works
 53: Reading solute configuration
 53: Reading solvent configuration
@@ -21097,7 +21130,7 @@
 53: Density                :     974.777 (g/l)
 53: Number of solvent molecules:    886   
 53: 
-53: [       OK ] SolvateTest.cs_cp_Works (13 ms)
+53: [       OK ] SolvateTest.cs_cp_Works (15 ms)
 53: [ RUN      ] SolvateTest.cs_cp_p_Works
 53: Reading solute configuration
 53: Reading solvent configuration
@@ -21142,7 +21175,7 @@
 53: 
 53: Processing topology
 53: Adding line for 886 solvent molecules with resname (SOL) to topology file (/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_cs_cp_p_Works_spc-and-methanol.top)
-53: [       OK ] SolvateTest.cs_cp_p_Works (12 ms)
+53: [       OK ] SolvateTest.cs_cp_p_Works (11 ms)
 53: [ RUN      ] SolvateTest.shell_Works
 53: Reading solute configuration
 53: Reading solvent configuration
@@ -21233,7 +21266,7 @@
 53: Processing topology
 53: Adding line for 1876 solvent molecules with resname (HOH) to topology file (/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_update_Topology_Works_simple.top)
 53: Adding line for 2169 solvent molecules with resname (SOL) to topology file (/build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_update_Topology_Works_simple.top)
-53: [       OK ] SolvateTest.update_Topology_Works (44 ms)
+53: [       OK ] SolvateTest.update_Topology_Works (43 ms)
 53: [ RUN      ] SolvateTest.cs_pdb_big_box_Works
 53: Reading solvent configuration
 53: 
@@ -21274,7 +21307,7 @@
 53: Density                :     826.409 (g/l)
 53: Number of solvent molecules:    221   
 53: 
-53: [       OK ] SolvateTest.cs_pdb_big_box_Works (5 ms)
+53: [       OK ] SolvateTest.cs_pdb_big_box_Works (4 ms)
 53: [----------] 6 tests from SolvateTest (85 ms total)
 53: 
 53: [----------] 1 test from TopDirTests
@@ -21561,19 +21594,19 @@
 53: Read 252 atoms
 53: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 53: No velocities found
-53: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/0 (3 ms)
+53: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/0 (2 ms)
 53: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/1
 53: Note that major changes are planned in future for editconf, to improve usability and utility.
 53: Read 252 atoms
 53: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 53: No velocities found
-53: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/1 (2 ms)
+53: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/1 (1 ms)
 53: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/2
 53: Note that major changes are planned in future for editconf, to improve usability and utility.
 53: Read 252 atoms
 53: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 53: No velocities found
-53: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/2 (2 ms)
+53: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/2 (1 ms)
 53: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/3
 53: Note that major changes are planned in future for editconf, to improve usability and utility.
 53: Read 252 atoms
@@ -21585,13 +21618,13 @@
 53: Read 252 atoms
 53: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 53: No velocities found
-53: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/4 (1 ms)
+53: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/4 (0 ms)
 53: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/5
 53: Note that major changes are planned in future for editconf, to improve usability and utility.
 53: Read 252 atoms
 53: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 53: No velocities found
-53: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/5 (1 ms)
+53: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/5 (0 ms)
 53: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/6
 53: Note that major changes are planned in future for editconf, to improve usability and utility.
 53: Read 252 atoms
@@ -21619,7 +21652,7 @@
 53: Read 252 atoms
 53: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 53: No velocities found
-53: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/0 (2 ms)
+53: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/0 (1 ms)
 53: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/1
 53: 
 53: Select a group for output:
@@ -21679,7 +21712,7 @@
 53: Read 252 atoms
 53: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 53: No velocities found
-53: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/6 (1 ms)
+53: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/6 (0 ms)
 53: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/7
 53: 
 53: Select a group for output:
@@ -21689,7 +21722,7 @@
 53: Read 252 atoms
 53: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 53: No velocities found
-53: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/7 (1 ms)
+53: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/7 (0 ms)
 53: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/8
 53: 
 53: Select a group for output:
@@ -21699,7 +21732,7 @@
 53: Read 252 atoms
 53: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 53: No velocities found
-53: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/8 (1 ms)
+53: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/8 (0 ms)
 53: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesCenter/0
 53: Note that major changes are planned in future for editconf, to improve usability and utility.
 53: Read 252 atoms
@@ -21725,7 +21758,7 @@
 53:     box volume  : 338.10               (nm^3)
 53:     shift       :  0.212  1.187  3.527 (nm)
 53: new center      :  4.028  2.819  3.723 (nm)
-53: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenter/1 (2 ms)
+53: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenter/1 (1 ms)
 53: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesCenter/2
 53: Note that major changes are planned in future for editconf, to improve usability and utility.
 53: Read 252 atoms
@@ -21764,7 +21797,7 @@
 53:     box volume  : 338.10               (nm^3)
 53:     shift       :  0.212  1.187  3.527 (nm)
 53: new center      :  4.028  2.819  3.723 (nm)
-53: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenter/4 (1 ms)
+53: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenter/4 (0 ms)
 53: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesCenter/5
 53: Note that major changes are planned in future for editconf, to improve usability and utility.
 53: Read 252 atoms
@@ -21777,7 +21810,7 @@
 53:     box volume  : 338.10               (nm^3)
 53:     shift       :  0.212  1.187  3.527 (nm)
 53: new center      :  4.028  2.819  3.723 (nm)
-53: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenter/5 (1 ms)
+53: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenter/5 (0 ms)
 53: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesCenter/6
 53: Note that major changes are planned in future for editconf, to improve usability and utility.
 53: Read 252 atoms
@@ -21916,7 +21949,7 @@
 53: WARNING: No boxtype specified - distance condition applied in each dimension.
 53: If the molecule rotates the actual distance will be smaller. You might want
 53: to use a cubic box instead, or why not try a dodecahedron today?
-53: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/4 (1 ms)
+53: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/4 (0 ms)
 53: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/5
 53: Note that major changes are planned in future for editconf, to improve usability and utility.
 53: Read 252 atoms
@@ -21936,7 +21969,7 @@
 53: WARNING: No boxtype specified - distance condition applied in each dimension.
 53: If the molecule rotates the actual distance will be smaller. You might want
 53: to use a cubic box instead, or why not try a dodecahedron today?
-53: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/5 (1 ms)
+53: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/5 (0 ms)
 53: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/6
 53: Note that major changes are planned in future for editconf, to improve usability and utility.
 53: Read 252 atoms
@@ -22034,7 +22067,7 @@
 53: WARNING: No boxtype specified - distance condition applied in each dimension.
 53: If the molecule rotates the actual distance will be smaller. You might want
 53: to use a cubic box instead, or why not try a dodecahedron today?
-53: [       OK ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/1 (2 ms)
+53: [       OK ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/1 (1 ms)
 53: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/2
 53: Note that major changes are planned in future for editconf, to improve usability and utility.
 53: Read 252 atoms
@@ -22053,7 +22086,7 @@
 53: WARNING: No boxtype specified - distance condition applied in each dimension.
 53: If the molecule rotates the actual distance will be smaller. You might want
 53: to use a cubic box instead, or why not try a dodecahedron today?
-53: [       OK ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/2 (2 ms)
+53: [       OK ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/2 (1 ms)
 53: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/3
 53: Note that major changes are planned in future for editconf, to improve usability and utility.
 53: Read 252 atoms
@@ -22072,7 +22105,7 @@
 53: WARNING: No boxtype specified - distance condition applied in each dimension.
 53: If the molecule rotates the actual distance will be smaller. You might want
 53: to use a cubic box instead, or why not try a dodecahedron today?
-53: [       OK ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/3 (2 ms)
+53: [       OK ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/3 (1 ms)
 53: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/4
 53: Note that major changes are planned in future for editconf, to improve usability and utility.
 53: Read 252 atoms
@@ -22091,7 +22124,7 @@
 53: WARNING: No boxtype specified - distance condition applied in each dimension.
 53: If the molecule rotates the actual distance will be smaller. You might want
 53: to use a cubic box instead, or why not try a dodecahedron today?
-53: [       OK ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/4 (1 ms)
+53: [       OK ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/4 (0 ms)
 53: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/5
 53: Note that major changes are planned in future for editconf, to improve usability and utility.
 53: Read 252 atoms
@@ -22167,8 +22200,8 @@
 53: WARNING: No boxtype specified - distance condition applied in each dimension.
 53: If the molecule rotates the actual distance will be smaller. You might want
 53: to use a cubic box instead, or why not try a dodecahedron today?
-53: [       OK ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/8 (2 ms)
-53: [----------] 45 tests from SinglePeptideFragments/EditconfTest (73 ms total)
+53: [       OK ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/8 (1 ms)
+53: [----------] 45 tests from SinglePeptideFragments/EditconfTest (59 ms total)
 53: 
 53: [----------] 16 tests from CorrectVelocity/MaxwellTest
 53: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/0
@@ -22203,19 +22236,19 @@
 53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/14 (0 ms)
 53: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/15
 53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/15 (0 ms)
-53: [----------] 16 tests from CorrectVelocity/MaxwellTest (11 ms total)
+53: [----------] 16 tests from CorrectVelocity/MaxwellTest (7 ms total)
 53: 
 53: [----------] 23 tests from CMAPDefinesAndErrors/GromppDirectiveTest
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/0
-53: Setting the LD random seed to -84033575
+53: Setting the LD random seed to -335546405
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
 53: Generated 3 of the 3 1-4 parameter combinations
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/0 (10 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/0 (5 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/1
-53: Setting the LD random seed to -313002138
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/1 (9 ms)
+53: Setting the LD random seed to 2112345842
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/1 (5 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/2
 53: Ignoring obsolete mdp entry 'title'
 53: Generating 1-4 interactions: fudge = 0.5
@@ -22237,7 +22270,7 @@
 53: 
 53: 
 53: There were 2 NOTEs
-53: Setting the LD random seed to -475004937
+53: Setting the LD random seed to 2144332087
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -22245,7 +22278,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -604244257
+53: Setting gen_seed to 769209065
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -22283,7 +22316,7 @@
 53: 
 53: 
 53: There were 2 NOTEs
-53: Setting the LD random seed to -557939013
+53: Setting the LD random seed to -34741251
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -22291,7 +22324,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -1460175897
+53: Setting gen_seed to 1757362665
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -22329,7 +22362,7 @@
 53: 
 53: 
 53: There were 2 NOTEs
-53: Setting the LD random seed to -398434
+53: Setting the LD random seed to -536875649
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -22337,7 +22370,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -27279397
+53: Setting gen_seed to -565742593
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -22353,7 +22386,7 @@
 53: Note that mdrun will redetermine rlist based on the actual pair-list setup
 53: 
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/4 (2 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/4 (3 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/5
 53: Ignoring obsolete mdp entry 'title'
 53: Generating 1-4 interactions: fudge = 0.5
@@ -22375,7 +22408,7 @@
 53: 
 53: 
 53: There were 2 NOTEs
-53: Setting the LD random seed to -142619587
+53: Setting the LD random seed to -9971910
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -22383,7 +22416,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -362113
+53: Setting gen_seed to 1861039486
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -22401,10 +22434,10 @@
 53: This run will generate roughly 0 Mb of data
 53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/5 (2 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/6
-53: Setting the LD random seed to -1082995201
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/6 (9 ms)
+53: Setting the LD random seed to -76292377
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/6 (8 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/7
-53: Setting the LD random seed to -1074791181
+53: Setting the LD random seed to -1573125
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -22412,15 +22445,15 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -1278495055
+53: Setting gen_seed to -1627424069
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/7 (10 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/7 (8 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/8
-53: Setting the LD random seed to -1646594
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/8 (6 ms)
+53: Setting the LD random seed to -539033997
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/8 (8 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/9
-53: Setting the LD random seed to 2109729749
+53: Setting the LD random seed to -234883333
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -22428,12 +22461,12 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -336070690
+53: Setting gen_seed to -201331233
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/9 (10 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/9 (9 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/10
-53: Setting the LD random seed to -268510209
+53: Setting the LD random seed to -2
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -22441,12 +22474,12 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -277864449
+53: Setting gen_seed to -168037913
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/10 (10 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/10 (15 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/11
-53: Setting the LD random seed to -4276291
+53: Setting the LD random seed to -1114379
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -22454,12 +22487,12 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -469958673
+53: Setting gen_seed to -1226178771
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/11 (11 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/11 (15 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/12
-53: Setting the LD random seed to -650117461
+53: Setting the LD random seed to -605062409
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -22467,12 +22500,12 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to 1991634174
+53: Setting gen_seed to 2094395263
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/12 (10 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/12 (7 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/13
-53: Setting the LD random seed to -360731969
+53: Setting the LD random seed to -110690345
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -22480,12 +22513,12 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -562085927
+53: Setting gen_seed to -11601044
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/13 (10 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/13 (5 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/14
-53: Setting the LD random seed to -281423362
+53: Setting the LD random seed to -155978881
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -22493,12 +22526,12 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -746606641
+53: Setting gen_seed to -135004301
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/14 (11 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/14 (6 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/15
-53: Setting the LD random seed to 2076180159
+53: Setting the LD random seed to -673515846
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -22506,10 +22539,10 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -537145857
+53: Setting gen_seed to -1348490780
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/15 (10 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/15 (8 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/16
 53: Ignoring obsolete mdp entry 'title'
 53: Generating 1-4 interactions: fudge = 0.5
@@ -22531,7 +22564,7 @@
 53: 
 53: 
 53: There were 2 NOTEs
-53: Setting the LD random seed to -130058467
+53: Setting the LD random seed to -172026883
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -22539,7 +22572,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to 1956216778
+53: Setting gen_seed to 834387455
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -22555,7 +22588,7 @@
 53: Note that mdrun will redetermine rlist based on the actual pair-list setup
 53: 
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/16 (6 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/16 (8 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/17
 53: Ignoring obsolete mdp entry 'title'
 53: Generating 1-4 interactions: fudge = 0.5
@@ -22577,7 +22610,7 @@
 53: 
 53: 
 53: There were 2 NOTEs
-53: Setting the LD random seed to -304794113
+53: Setting the LD random seed to -16665
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -22585,7 +22618,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -274759851
+53: Setting gen_seed to -1093551729
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -22601,16 +22634,16 @@
 53: Note that mdrun will redetermine rlist based on the actual pair-list setup
 53: 
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/17 (5 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/17 (8 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/18
-53: Setting the LD random seed to -1231159297
+53: Setting the LD random seed to -919177
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
 53: Generated 3 of the 3 1-4 parameter combinations
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/18 (10 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/18 (8 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/19
-53: Setting the LD random seed to -16844053
+53: Setting the LD random seed to -806402625
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -22618,7 +22651,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -738856149
+53: Setting gen_seed to -553685505
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -22634,14 +22667,14 @@
 53: Note that mdrun will redetermine rlist based on the actual pair-list setup
 53: 
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/19 (11 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/19 (8 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/20
-53: Setting the LD random seed to -1957737729
+53: Setting the LD random seed to -693505025
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
 53: Generated 3 of the 3 1-4 parameter combinations
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/20 (10 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/20 (9 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/21
 53: Ignoring obsolete mdp entry 'title'
 53: Generating 1-4 interactions: fudge = 0.5
@@ -22663,7 +22696,7 @@
 53: 
 53: 
 53: There were 2 NOTEs
-53: Setting the LD random seed to 2138765055
+53: Setting the LD random seed to 2065530360
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -22671,7 +22704,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -673581077
+53: Setting gen_seed to -306516169
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -22687,18 +22720,18 @@
 53: Note that mdrun will redetermine rlist based on the actual pair-list setup
 53: 
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/21 (6 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/21 (5 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/22
-53: Setting the LD random seed to 1073741694
+53: Setting the LD random seed to -1348010791
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
 53: Generated 3 of the 3 1-4 parameter combinations
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/22 (11 ms)
-53: [----------] 23 tests from CMAPDefinesAndErrors/GromppDirectiveTest (192 ms total)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/22 (9 ms)
+53: [----------] 23 tests from CMAPDefinesAndErrors/GromppDirectiveTest (176 ms total)
 53: 
 53: [----------] Global test environment tear-down
-53: [==========] 260 tests from 16 test suites ran. (810 ms total)
+53: [==========] 260 tests from 16 test suites ran. (753 ms total)
 53: [  PASSED  ] 220 tests.
 53: [  SKIPPED ] 40 tests, listed below:
 53: [  SKIPPED ] InteractionFunctionKind/ConvertInteractionsTest.Works/GB_1_2_Pol_
@@ -22741,7 +22774,7 @@
 53: [  SKIPPED ] InteractionFunctionKind/ConvertInteractionsTest.Works/dVbonded_dl
 53: [  SKIPPED ] InteractionFunctionKind/ConvertInteractionsTest.Works/dVrestraint_dl
 53: [  SKIPPED ] InteractionFunctionKind/ConvertInteractionsTest.Works/dVtemp_dl
-53/92 Test #53: GmxPreprocessTests ........................   Passed    0.85 sec
+53/92 Test #53: GmxPreprocessTests ........................   Passed    0.78 sec
 test 54
       Start 54: Pdb2gmx1Test
 
@@ -22830,7 +22863,7 @@
 54: The Oplsaa force field and the tip3p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (47 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (29 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -22913,7 +22946,7 @@
 54: The Oplsaa force field and the tip3p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (33 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (23 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -22992,7 +23025,7 @@
 54: The Oplsaa force field and the tip3p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (26 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (18 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -23073,7 +23106,7 @@
 54: The Oplsaa force field and the tip3p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (24 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (15 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -23156,7 +23189,7 @@
 54: The Oplsaa force field and the tip3p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (53 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (45 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -23239,7 +23272,7 @@
 54: The Oplsaa force field and the tip3p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (17 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (16 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -23491,7 +23524,7 @@
 54: The Oplsaa force field and the tip3p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (16 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (15 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -23740,7 +23773,7 @@
 54: The Oplsaa force field and the tip4p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (17 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (16 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -23819,7 +23852,7 @@
 54: The Oplsaa force field and the tip4p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (16 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (15 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -23900,7 +23933,7 @@
 54: The Oplsaa force field and the tip4p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (15 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (14 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -24066,7 +24099,7 @@
 54: The Oplsaa force field and the tip4p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (17 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (18 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -24234,7 +24267,7 @@
 54: The Oplsaa force field and the tip4p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (17 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (18 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -24318,7 +24351,7 @@
 54: The Oplsaa force field and the tip4p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (16 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (17 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -24404,7 +24437,7 @@
 54: The Oplsaa force field and the tip4p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (50 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (53 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -24484,7 +24517,7 @@
 54: The Oplsaa force field and the tip5p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (16 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (15 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -24567,7 +24600,7 @@
 54: The Oplsaa force field and the tip5p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (17 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (18 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -24646,7 +24679,7 @@
 54: The Oplsaa force field and the tip5p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (15 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (16 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -24727,7 +24760,7 @@
 54: The Oplsaa force field and the tip5p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (14 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (16 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -24810,7 +24843,7 @@
 54: The Oplsaa force field and the tip5p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (46 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (47 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -24893,7 +24926,7 @@
 54: The Oplsaa force field and the tip5p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (16 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (18 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -24979,7 +25012,7 @@
 54: The Oplsaa force field and the tip5p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (18 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (19 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -25061,7 +25094,7 @@
 54: The Oplsaa force field and the tip5p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (17 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (18 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -25231,13 +25264,13 @@
 54: The Oplsaa force field and the tip5p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (50 ms)
-54: [----------] 30 tests from Oplsaa/Pdb2gmxTest (787 ms total)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (53 ms)
+54: [----------] 30 tests from Oplsaa/Pdb2gmxTest (730 ms total)
 54: 
 54: [----------] Global test environment tear-down
-54: [==========] 30 tests from 1 test suite ran. (796 ms total)
+54: [==========] 30 tests from 1 test suite ran. (730 ms total)
 54: [  PASSED  ] 30 tests.
-54/92 Test #54: Pdb2gmx1Test ..............................   Passed    0.83 sec
+54/92 Test #54: Pdb2gmx1Test ..............................   Passed    0.75 sec
 test 55
       Start 55: Pdb2gmx2Test
 
@@ -25462,7 +25495,7 @@
 55: The Gromos43a1 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (52 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (26 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -25681,7 +25714,7 @@
 55: The Gromos43a1 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (30 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (22 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -25896,7 +25929,7 @@
 55: The Gromos43a1 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (49 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (19 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -26113,7 +26146,7 @@
 55: The Gromos43a1 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (30 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (19 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -26332,7 +26365,7 @@
 55: The Gromos43a1 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (63 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (37 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -26551,7 +26584,7 @@
 55: The Gromos43a1 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (23 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (19 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -27211,7 +27244,7 @@
 55: The Gromos43a1 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (18 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (19 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -27433,7 +27466,7 @@
 55: The Gromos43a1 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (36 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (38 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -27868,7 +27901,7 @@
 55: The Gromos43a1 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (53 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (20 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -28083,7 +28116,7 @@
 55: The Gromos43a1 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (42 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (19 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -28300,7 +28333,7 @@
 55: The Gromos43a1 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (29 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (18 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -28519,7 +28552,7 @@
 55: The Gromos43a1 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (52 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (37 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -28738,7 +28771,7 @@
 55: The Gromos43a1 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (23 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (19 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -29621,7 +29654,7 @@
 55: 
 55: 		--------- ETON ESAELP ------------
 55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (38 ms)
-55: [----------] 20 tests from G43a1/Pdb2gmxTest (664 ms total)
+55: [----------] 20 tests from G43a1/Pdb2gmxTest (478 ms total)
 55: 
 55: [----------] 20 tests from G53a6/Pdb2gmxTest
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file
@@ -29849,7 +29882,7 @@
 55: The Gromos53a6 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (22 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (20 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -30303,7 +30336,7 @@
 55: The Gromos53a6 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (20 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (21 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -30530,7 +30563,7 @@
 55: The Gromos53a6 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (19 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (20 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -30759,7 +30792,7 @@
 55: The Gromos53a6 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (38 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (39 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -31220,7 +31253,7 @@
 55: The Gromos53a6 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (22 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (23 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -31678,7 +31711,7 @@
 55: The Gromos53a6 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (20 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (21 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -31910,7 +31943,7 @@
 55: The Gromos53a6 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (39 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (41 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -32590,7 +32623,7 @@
 55: The Gromos53a6 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (20 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (21 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -32817,7 +32850,7 @@
 55: The Gromos53a6 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (19 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (20 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -33046,7 +33079,7 @@
 55: The Gromos53a6 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (38 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (39 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -33507,7 +33540,7 @@
 55: The Gromos53a6 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (22 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (23 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -33965,7 +33998,7 @@
 55: The Gromos53a6 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (20 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (21 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -34197,13 +34230,13 @@
 55: The Gromos53a6 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (39 ms)
-55: [----------] 20 tests from G53a6/Pdb2gmxTest (496 ms total)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (41 ms)
+55: [----------] 20 tests from G53a6/Pdb2gmxTest (507 ms total)
 55: 
 55: [----------] Global test environment tear-down
-55: [==========] 40 tests from 2 test suites ran. (1160 ms total)
+55: [==========] 40 tests from 2 test suites ran. (985 ms total)
 55: [  PASSED  ] 40 tests.
-55/92 Test #55: Pdb2gmx2Test ..............................   Passed    1.18 sec
+55/92 Test #55: Pdb2gmx2Test ..............................   Passed    1.00 sec
 test 56
       Start 56: Pdb2gmx3Test
 
@@ -34303,7 +34336,7 @@
 56: The Amber99sb-ildn force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (25 ms)
+56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (50 ms)
 56: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -34397,7 +34430,7 @@
 56: The Amber99sb-ildn force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (23 ms)
+56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (31 ms)
 56: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -34487,7 +34520,7 @@
 56: The Amber99sb-ildn force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (22 ms)
+56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (24 ms)
 56: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -34579,7 +34612,7 @@
 56: The Amber99sb-ildn force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (20 ms)
+56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (19 ms)
 56: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -34673,7 +34706,7 @@
 56: The Amber99sb-ildn force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (55 ms)
+56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (53 ms)
 56: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -34767,7 +34800,7 @@
 56: The Amber99sb-ildn force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (22 ms)
+56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (21 ms)
 56: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -34864,7 +34897,7 @@
 56: The Amber99sb-ildn force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (25 ms)
+56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (23 ms)
 56: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -34957,7 +34990,7 @@
 56: The Amber99sb-ildn force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (23 ms)
+56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (22 ms)
 56: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -35052,7 +35085,7 @@
 56: The Amber99sb-ildn force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (22 ms)
+56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (21 ms)
 56: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -35149,8 +35182,8 @@
 56: The Amber99sb-ildn force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (57 ms)
-56: [----------] 10 tests from Amber/Pdb2gmxTest (299 ms total)
+56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (56 ms)
+56: [----------] 10 tests from Amber/Pdb2gmxTest (326 ms total)
 56: 
 56: [----------] 1 test from AmberTip4p/Pdb2gmxTest
 56: [ RUN      ] AmberTip4p/Pdb2gmxTest.Runs/ff_amber99sbildn_tip4p_vsite_none_id_or_ter_merge_no_tip4ppdb_format_gro_match_full
@@ -35228,7 +35261,7 @@
 56: The Amber99sb-ildn force field and the tip4p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] AmberTip4p/Pdb2gmxTest.Runs/ff_amber99sbildn_tip4p_vsite_none_id_or_ter_merge_no_tip4ppdb_format_gro_match_full (10 ms)
+56: [       OK ] AmberTip4p/Pdb2gmxTest.Runs/ff_amber99sbildn_tip4p_vsite_none_id_or_ter_merge_no_tip4ppdb_format_gro_match_full (9 ms)
 56: [----------] 1 test from AmberTip4p/Pdb2gmxTest (10 ms total)
 56: 
 56: [----------] 12 tests from Charmm/Pdb2gmxTest
@@ -35329,7 +35362,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (22 ms)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (18 ms)
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -35430,7 +35463,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (21 ms)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (20 ms)
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -35527,7 +35560,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (19 ms)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (18 ms)
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -35626,7 +35659,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (19 ms)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (18 ms)
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -35727,7 +35760,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (48 ms)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (47 ms)
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_monomerpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -35814,7 +35847,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_monomerpdb_format_gro_match_file (10 ms)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_monomerpdb_format_gro_match_file (9 ms)
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -36019,7 +36052,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (22 ms)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (21 ms)
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -36119,7 +36152,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (21 ms)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (20 ms)
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -36325,7 +36358,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (53 ms)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (51 ms)
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_monomerpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -36416,7 +36449,7 @@
 56: 
 56: 		--------- ETON ESAELP ------------
 56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_monomerpdb_format_gro_match_file (10 ms)
-56: [----------] 12 tests from Charmm/Pdb2gmxTest (290 ms total)
+56: [----------] 12 tests from Charmm/Pdb2gmxTest (276 ms total)
 56: 
 56: [----------] 8 tests from ChainSep/Pdb2gmxTest
 56: [ RUN      ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_merge_all_chainTerpdb_format_gro_match_file
@@ -36836,7 +36869,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_all_chainTerpdb_format_gro_match_file (20 ms)
+56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_all_chainTerpdb_format_gro_match_file (19 ms)
 56: [ RUN      ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_no_chainTerpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -37148,7 +37181,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_chainTerpdb_format_gro_match_file (20 ms)
+56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_chainTerpdb_format_gro_match_file (19 ms)
 56: [ RUN      ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_chainTerpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -37644,7 +37677,7 @@
 56: 
 56: 		--------- ETON ESAELP ------------
 56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_and_ter_merge_no_chainTerpdb_format_gro_match_file (16 ms)
-56: [----------] 8 tests from ChainSep/Pdb2gmxTest (149 ms total)
+56: [----------] 8 tests from ChainSep/Pdb2gmxTest (145 ms total)
 56: 
 56: [----------] 4 tests from ChainChanges/Pdb2gmxTest
 56: [ RUN      ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_merge_no_fragmentspdb_format_pdb_match_file
@@ -37788,7 +37821,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_merge_no_fragmentspdb_format_pdb_match_file (12 ms)
+56: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_merge_no_fragmentspdb_format_pdb_match_file (11 ms)
 56: [ RUN      ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_no_fragmentspdb_format_pdb_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -37930,7 +37963,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_no_fragmentspdb_format_pdb_match_file (12 ms)
+56: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_no_fragmentspdb_format_pdb_match_file (11 ms)
 56: [ RUN      ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_fragmentspdb_format_pdb_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -38072,7 +38105,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_fragmentspdb_format_pdb_match_file (12 ms)
+56: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_fragmentspdb_format_pdb_match_file (11 ms)
 56: [ RUN      ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_and_ter_merge_no_fragmentspdb_format_pdb_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -38214,8 +38247,8 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_and_ter_merge_no_fragmentspdb_format_pdb_match_file (12 ms)
-56: [----------] 4 tests from ChainChanges/Pdb2gmxTest (48 ms total)
+56: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_and_ter_merge_no_fragmentspdb_format_pdb_match_file (11 ms)
+56: [----------] 4 tests from ChainChanges/Pdb2gmxTest (47 ms total)
 56: 
 56: [----------] 4 tests from Cyclic/Pdb2gmxTest
 56: [ RUN      ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_cycrnapdb_format_gro_match_file
@@ -38472,7 +38505,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_cycrnapdb_format_gro_match_file (163 ms)
+56: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_cycrnapdb_format_gro_match_file (159 ms)
 56: [ RUN      ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_cycprotpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -38559,7 +38592,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_cycprotpdb_format_gro_match_file (46 ms)
+56: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_cycprotpdb_format_gro_match_file (43 ms)
 56: [ RUN      ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_cycrnapdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -38739,7 +38772,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_cycrnapdb_format_gro_match_file (260 ms)
+56: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_cycrnapdb_format_gro_match_file (255 ms)
 56: [ RUN      ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_cycprotpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -38826,13 +38859,13 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_cycprotpdb_format_gro_match_file (90 ms)
-56: [----------] 4 tests from Cyclic/Pdb2gmxTest (560 ms total)
+56: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_cycprotpdb_format_gro_match_file (44 ms)
+56: [----------] 4 tests from Cyclic/Pdb2gmxTest (502 ms total)
 56: 
 56: [----------] Global test environment tear-down
-56: [==========] 39 tests from 6 test suites ran. (1358 ms total)
+56: [==========] 39 tests from 6 test suites ran. (1309 ms total)
 56: [  PASSED  ] 39 tests.
-56/92 Test #56: Pdb2gmx3Test ..............................   Passed    1.37 sec
+56/92 Test #56: Pdb2gmx3Test ..............................   Passed    1.33 sec
 test 57
       Start 57: CorrelationsTest
 
@@ -38843,49 +38876,49 @@
 57: [----------] Global test environment set-up.
 57: [----------] 10 tests from AutocorrTest
 57: [ RUN      ] AutocorrTest.EacNormal
-57: [       OK ] AutocorrTest.EacNormal (14 ms)
+57: [       OK ] AutocorrTest.EacNormal (7 ms)
 57: [ RUN      ] AutocorrTest.EacNoNormalize
-57: [       OK ] AutocorrTest.EacNoNormalize (10 ms)
+57: [       OK ] AutocorrTest.EacNoNormalize (4 ms)
 57: [ RUN      ] AutocorrTest.EacCos
-57: [       OK ] AutocorrTest.EacCos (19 ms)
+57: [       OK ] AutocorrTest.EacCos (12 ms)
 57: [ RUN      ] AutocorrTest.EacVector
-57: [       OK ] AutocorrTest.EacVector (29 ms)
+57: [       OK ] AutocorrTest.EacVector (17 ms)
 57: [ RUN      ] AutocorrTest.EacRcross
-57: [       OK ] AutocorrTest.EacRcross (1 ms)
+57: [       OK ] AutocorrTest.EacRcross (0 ms)
 57: [ RUN      ] AutocorrTest.EacP0
-57: [       OK ] AutocorrTest.EacP0 (34 ms)
+57: [       OK ] AutocorrTest.EacP0 (21 ms)
 57: [ RUN      ] AutocorrTest.EacP1
-57: [       OK ] AutocorrTest.EacP1 (31 ms)
+57: [       OK ] AutocorrTest.EacP1 (19 ms)
 57: [ RUN      ] AutocorrTest.EacP2
-57: [       OK ] AutocorrTest.EacP2 (59 ms)
+57: [       OK ] AutocorrTest.EacP2 (51 ms)
 57: [ RUN      ] AutocorrTest.EacP3
-57: [       OK ] AutocorrTest.EacP3 (5 ms)
+57: [       OK ] AutocorrTest.EacP3 (2 ms)
 57: [ RUN      ] AutocorrTest.EacP4
-57: [       OK ] AutocorrTest.EacP4 (31 ms)
-57: [----------] 10 tests from AutocorrTest (240 ms total)
+57: [       OK ] AutocorrTest.EacP4 (34 ms)
+57: [----------] 10 tests from AutocorrTest (175 ms total)
 57: 
 57: [----------] 10 tests from ExpfitTest
 57: [ RUN      ] ExpfitTest.EffnEXP1
 57: [       OK ] ExpfitTest.EffnEXP1 (0 ms)
 57: [ RUN      ] ExpfitTest.EffnEXP2
-57: [       OK ] ExpfitTest.EffnEXP2 (1 ms)
+57: [       OK ] ExpfitTest.EffnEXP2 (0 ms)
 57: [ RUN      ] ExpfitTest.EffnEXPEXP
 57: [       OK ] ExpfitTest.EffnEXPEXP (1 ms)
 57: [ RUN      ] ExpfitTest.EffnEXP5
-57: [       OK ] ExpfitTest.EffnEXP5 (5 ms)
+57: [       OK ] ExpfitTest.EffnEXP5 (2 ms)
 57: [ RUN      ] ExpfitTest.EffnEXP7
-57: [       OK ] ExpfitTest.EffnEXP7 (4 ms)
+57: [       OK ] ExpfitTest.EffnEXP7 (2 ms)
 57: [ RUN      ] ExpfitTest.EffnEXP9
-57: [       OK ] ExpfitTest.EffnEXP9 (19 ms)
+57: [       OK ] ExpfitTest.EffnEXP9 (9 ms)
 57: [ RUN      ] ExpfitTest.EffnERF
-57: [       OK ] ExpfitTest.EffnERF (3 ms)
+57: [       OK ] ExpfitTest.EffnERF (1 ms)
 57: [ RUN      ] ExpfitTest.EffnERREST
-57: [       OK ] ExpfitTest.EffnERREST (2 ms)
+57: [       OK ] ExpfitTest.EffnERREST (1 ms)
 57: [ RUN      ] ExpfitTest.EffnVAC
-57: [       OK ] ExpfitTest.EffnVAC (7 ms)
+57: [       OK ] ExpfitTest.EffnVAC (4 ms)
 57: [ RUN      ] ExpfitTest.EffnPRES
-57: [       OK ] ExpfitTest.EffnPRES (12 ms)
-57: [----------] 10 tests from ExpfitTest (58 ms total)
+57: [       OK ] ExpfitTest.EffnPRES (8 ms)
+57: [----------] 10 tests from ExpfitTest (32 ms total)
 57: 
 57: [----------] 1 test from ManyAutocorrelationTest
 57: [ RUN      ] ManyAutocorrelationTest.Empty
@@ -38893,9 +38926,9 @@
 57: [----------] 1 test from ManyAutocorrelationTest (0 ms total)
 57: 
 57: [----------] Global test environment tear-down
-57: [==========] 21 tests from 3 test suites ran. (306 ms total)
+57: [==========] 21 tests from 3 test suites ran. (211 ms total)
 57: [  PASSED  ] 21 tests.
-57/92 Test #57: CorrelationsTest ..........................   Passed    0.33 sec
+57/92 Test #57: CorrelationsTest ..........................   Passed    0.22 sec
 test 58
       Start 58: AnalysisDataUnitTests
 
@@ -38998,7 +39031,7 @@
 58: [       OK ] AnalysisArrayDataTest.CanSetXAxis (0 ms)
 58: [ RUN      ] AnalysisArrayDataTest.CanSetXAxisBeforeRowCount
 58: [       OK ] AnalysisArrayDataTest.CanSetXAxisBeforeRowCount (0 ms)
-58: [----------] 4 tests from AnalysisArrayDataTest (0 ms total)
+58: [----------] 4 tests from AnalysisArrayDataTest (1 ms total)
 58: 
 58: [----------] 6 tests from AverageModuleTest
 58: [ RUN      ] AverageModuleTest.BasicTest
@@ -39006,14 +39039,14 @@
 58: [ RUN      ] AverageModuleTest.HandlesMultipointData
 58: [       OK ] AverageModuleTest.HandlesMultipointData (0 ms)
 58: [ RUN      ] AverageModuleTest.HandlesMultipleDataSets
-58: [       OK ] AverageModuleTest.HandlesMultipleDataSets (1 ms)
+58: [       OK ] AverageModuleTest.HandlesMultipleDataSets (0 ms)
 58: [ RUN      ] AverageModuleTest.HandlesDataSetAveraging
-58: [       OK ] AverageModuleTest.HandlesDataSetAveraging (1 ms)
+58: [       OK ] AverageModuleTest.HandlesDataSetAveraging (0 ms)
 58: [ RUN      ] AverageModuleTest.CanCustomizeXAxis
 58: [       OK ] AverageModuleTest.CanCustomizeXAxis (0 ms)
 58: [ RUN      ] AverageModuleTest.CanCustomizeNonUniformXAxis
 58: [       OK ] AverageModuleTest.CanCustomizeNonUniformXAxis (0 ms)
-58: [----------] 6 tests from AverageModuleTest (6 ms total)
+58: [----------] 6 tests from AverageModuleTest (3 ms total)
 58: 
 58: [----------] 2 tests from FrameAverageModuleTest
 58: [ RUN      ] FrameAverageModuleTest.BasicTest
@@ -39041,28 +39074,28 @@
 58: 
 58: [----------] 2 tests from SimpleHistogramModuleTest
 58: [ RUN      ] SimpleHistogramModuleTest.ComputesCorrectly
-58: [       OK ] SimpleHistogramModuleTest.ComputesCorrectly (1 ms)
+58: [       OK ] SimpleHistogramModuleTest.ComputesCorrectly (0 ms)
 58: [ RUN      ] SimpleHistogramModuleTest.ComputesCorrectlyWithAll
-58: [       OK ] SimpleHistogramModuleTest.ComputesCorrectlyWithAll (1 ms)
-58: [----------] 2 tests from SimpleHistogramModuleTest (2 ms total)
+58: [       OK ] SimpleHistogramModuleTest.ComputesCorrectlyWithAll (0 ms)
+58: [----------] 2 tests from SimpleHistogramModuleTest (1 ms total)
 58: 
 58: [----------] 3 tests from WeightedHistogramModuleTest
 58: [ RUN      ] WeightedHistogramModuleTest.ComputesCorrectly
-58: [       OK ] WeightedHistogramModuleTest.ComputesCorrectly (1 ms)
+58: [       OK ] WeightedHistogramModuleTest.ComputesCorrectly (0 ms)
 58: [ RUN      ] WeightedHistogramModuleTest.ComputesCorrectlyWithAll
-58: [       OK ] WeightedHistogramModuleTest.ComputesCorrectlyWithAll (1 ms)
+58: [       OK ] WeightedHistogramModuleTest.ComputesCorrectlyWithAll (0 ms)
 58: [ RUN      ] WeightedHistogramModuleTest.HandlesMultipleDataSets
-58: [       OK ] WeightedHistogramModuleTest.HandlesMultipleDataSets (1 ms)
-58: [----------] 3 tests from WeightedHistogramModuleTest (3 ms total)
+58: [       OK ] WeightedHistogramModuleTest.HandlesMultipleDataSets (0 ms)
+58: [----------] 3 tests from WeightedHistogramModuleTest (2 ms total)
 58: 
 58: [----------] 3 tests from BinAverageModuleTest
 58: [ RUN      ] BinAverageModuleTest.ComputesCorrectly
-58: [       OK ] BinAverageModuleTest.ComputesCorrectly (1 ms)
+58: [       OK ] BinAverageModuleTest.ComputesCorrectly (0 ms)
 58: [ RUN      ] BinAverageModuleTest.ComputesCorrectlyWithAll
 58: [       OK ] BinAverageModuleTest.ComputesCorrectlyWithAll (0 ms)
 58: [ RUN      ] BinAverageModuleTest.HandlesMultipleDataSets
 58: [       OK ] BinAverageModuleTest.HandlesMultipleDataSets (0 ms)
-58: [----------] 3 tests from BinAverageModuleTest (2 ms total)
+58: [----------] 3 tests from BinAverageModuleTest (1 ms total)
 58: 
 58: [----------] 4 tests from AbstractAverageHistogramTest
 58: [ RUN      ] AbstractAverageHistogramTest.ClonesCorrectly
@@ -39070,10 +39103,10 @@
 58: [ RUN      ] AbstractAverageHistogramTest.ComputesCumulativeHistogram
 58: [       OK ] AbstractAverageHistogramTest.ComputesCumulativeHistogram (0 ms)
 58: [ RUN      ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidth
-58: [       OK ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidth (1 ms)
+58: [       OK ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidth (0 ms)
 58: [ RUN      ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidthWithIntegerBins
 58: [       OK ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidthWithIntegerBins (0 ms)
-58: [----------] 4 tests from AbstractAverageHistogramTest (4 ms total)
+58: [----------] 4 tests from AbstractAverageHistogramTest (2 ms total)
 58: 
 58: [----------] 3 tests from LifetimeModuleTest
 58: [ RUN      ] LifetimeModuleTest.BasicTest
@@ -39082,10 +39115,10 @@
 58: [       OK ] LifetimeModuleTest.CumulativeTest (0 ms)
 58: [ RUN      ] LifetimeModuleTest.HandlesMultipleDataSets
 58: [       OK ] LifetimeModuleTest.HandlesMultipleDataSets (0 ms)
-58: [----------] 3 tests from LifetimeModuleTest (2 ms total)
+58: [----------] 3 tests from LifetimeModuleTest (1 ms total)
 58: 
 58: [----------] Global test environment tear-down
-58: [==========] 69 tests from 14 test suites ran. (33 ms total)
+58: [==========] 69 tests from 14 test suites ran. (26 ms total)
 58: [  PASSED  ] 69 tests.
 58/92 Test #58: AnalysisDataUnitTests .....................   Passed    0.05 sec
 test 59
@@ -39108,8 +39141,8 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] OutputSelectorDeathTest.RejectsBadSelection (5 ms)
-59: [----------] 1 test from OutputSelectorDeathTest (5 ms total)
+59: [       OK ] OutputSelectorDeathTest.RejectsBadSelection (3 ms)
+59: [----------] 1 test from OutputSelectorDeathTest (3 ms total)
 59: 
 59: [----------] 5 tests from TrajectoryFrameWriterTest
 59: [ RUN      ] TrajectoryFrameWriterTest.RejectsWrongFiletype
@@ -39123,7 +39156,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] TrajectoryFrameWriterTest.RejectsWrongFiletype (2 ms)
+59: [       OK ] TrajectoryFrameWriterTest.RejectsWrongFiletype (1 ms)
 59: [ RUN      ] TrajectoryFrameWriterTest.BuilderFailsWithPdbAndNoAtoms
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -39135,7 +39168,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] TrajectoryFrameWriterTest.BuilderFailsWithPdbAndNoAtoms (2 ms)
+59: [       OK ] TrajectoryFrameWriterTest.BuilderFailsWithPdbAndNoAtoms (1 ms)
 59: [ RUN      ] TrajectoryFrameWriterTest.BuilderFailsWithGroAndNoAtoms
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -39147,7 +39180,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] TrajectoryFrameWriterTest.BuilderFailsWithGroAndNoAtoms (2 ms)
+59: [       OK ] TrajectoryFrameWriterTest.BuilderFailsWithGroAndNoAtoms (1 ms)
 59: [ RUN      ] TrajectoryFrameWriterTest.BuilderImplictlyAddsAtoms
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -39169,10 +39202,10 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] TrajectoryFrameWriterTest.BuilderImplictlyAddsAtoms (4 ms)
+59: [       OK ] TrajectoryFrameWriterTest.BuilderImplictlyAddsAtoms (2 ms)
 59: [ RUN      ] TrajectoryFrameWriterTest.TNGOutputWorks
 59: [       OK ] TrajectoryFrameWriterTest.TNGOutputWorks (0 ms)
-59: [----------] 5 tests from TrajectoryFrameWriterTest (12 ms total)
+59: [----------] 5 tests from TrajectoryFrameWriterTest (7 ms total)
 59: 
 59: [----------] 5 tests from OutputAdapterContainer
 59: [ RUN      ] OutputAdapterContainer.MakeEmpty
@@ -39221,7 +39254,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] SetAtomsTest.RemovesExistingAtoms (2 ms)
+59: [       OK ] SetAtomsTest.RemovesExistingAtoms (1 ms)
 59: [ RUN      ] SetAtomsTest.AddsNewAtoms
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -39233,7 +39266,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] SetAtomsTest.AddsNewAtoms (2 ms)
+59: [       OK ] SetAtomsTest.AddsNewAtoms (1 ms)
 59: [ RUN      ] SetAtomsTest.ThrowsOnRequiredAtomsNotAvailable
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -39245,7 +39278,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] SetAtomsTest.ThrowsOnRequiredAtomsNotAvailable (2 ms)
+59: [       OK ] SetAtomsTest.ThrowsOnRequiredAtomsNotAvailable (1 ms)
 59: [ RUN      ] SetAtomsTest.WillUseOldAtomsWhenNoNewAvailable
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -39257,7 +39290,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] SetAtomsTest.WillUseOldAtomsWhenNoNewAvailable (2 ms)
+59: [       OK ] SetAtomsTest.WillUseOldAtomsWhenNoNewAvailable (1 ms)
 59: [ RUN      ] SetAtomsTest.ThrowsWhenUserAtomReplacementNotPossible
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -39269,8 +39302,8 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] SetAtomsTest.ThrowsWhenUserAtomReplacementNotPossible (2 ms)
-59: [----------] 5 tests from SetAtomsTest (12 ms total)
+59: [       OK ] SetAtomsTest.ThrowsWhenUserAtomReplacementNotPossible (1 ms)
+59: [----------] 5 tests from SetAtomsTest (6 ms total)
 59: 
 59: [----------] 2 tests from SetBothTimeTest
 59: [ RUN      ] SetBothTimeTest.StartTimeZeroWorks
@@ -39303,7 +39336,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/0 (2 ms)
+59: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/0 (1 ms)
 59: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/1
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -39315,7 +39348,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/1 (2 ms)
+59: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/1 (1 ms)
 59: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/2
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -39327,7 +39360,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/2 (2 ms)
+59: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/2 (1 ms)
 59: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/3
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -39339,7 +39372,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/3 (2 ms)
+59: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/3 (1 ms)
 59: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/4
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -39364,7 +39397,7 @@
 59:          using another file format for your input.
 59: 
 59: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/5 (1 ms)
-59: [----------] 6 tests from CoordinateFileFileFormats/TrajectoryFrameWriterTest (13 ms total)
+59: [----------] 6 tests from CoordinateFileFileFormats/TrajectoryFrameWriterTest (8 ms total)
 59: 
 59: [----------] 3 tests from ModuleSupported/SetAtomsSupportedFiles
 59: [ RUN      ] ModuleSupported/SetAtomsSupportedFiles.Works/0
@@ -39403,7 +39436,7 @@
 59:          using another file format for your input.
 59: 
 59: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/2 (1 ms)
-59: [----------] 3 tests from ModuleSupported/SetAtomsSupportedFiles (5 ms total)
+59: [----------] 3 tests from ModuleSupported/SetAtomsSupportedFiles (3 ms total)
 59: 
 59: [----------] 3 tests from ModuleUnSupported/SetAtomsUnSupportedFiles
 59: [ RUN      ] ModuleUnSupported/SetAtomsUnSupportedFiles.Works/0
@@ -39436,7 +39469,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/0 (3 ms)
+59: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/0 (2 ms)
 59: [ RUN      ] ModuleSupported/AnyOutputSupportedFiles.Works/1
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -39458,7 +39491,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/1 (3 ms)
+59: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/1 (2 ms)
 59: [ RUN      ] ModuleSupported/AnyOutputSupportedFiles.Works/2
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -39480,7 +39513,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/2 (3 ms)
+59: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/2 (2 ms)
 59: [ RUN      ] ModuleSupported/AnyOutputSupportedFiles.Works/3
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -39502,8 +39535,8 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/3 (3 ms)
-59: [----------] 4 tests from ModuleSupported/AnyOutputSupportedFiles (14 ms total)
+59: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/3 (2 ms)
+59: [----------] 4 tests from ModuleSupported/AnyOutputSupportedFiles (9 ms total)
 59: 
 59: [----------] 3 tests from ModuleSupported/SetVelocitySupportedFiles
 59: [ RUN      ] ModuleSupported/SetVelocitySupportedFiles.Works/0
@@ -39529,7 +39562,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] ModuleSupported/SetVelocitySupportedFiles.Works/1 (1 ms)
+59: [       OK ] ModuleSupported/SetVelocitySupportedFiles.Works/1 (0 ms)
 59: [ RUN      ] ModuleSupported/SetVelocitySupportedFiles.Works/2
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -39542,7 +39575,7 @@
 59:          using another file format for your input.
 59: 
 59: [       OK ] ModuleSupported/SetVelocitySupportedFiles.Works/2 (1 ms)
-59: [----------] 3 tests from ModuleSupported/SetVelocitySupportedFiles (4 ms total)
+59: [----------] 3 tests from ModuleSupported/SetVelocitySupportedFiles (3 ms total)
 59: 
 59: [----------] 3 tests from ModuleUnSupported/SetVelocityUnSupportedFiles
 59: [ RUN      ] ModuleUnSupported/SetVelocityUnSupportedFiles.Works/0
@@ -39565,7 +39598,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] ModuleSupported/SetForceSupportedFiles.Works/0 (1 ms)
+59: [       OK ] ModuleSupported/SetForceSupportedFiles.Works/0 (0 ms)
 59: [ RUN      ] ModuleSupported/SetForceSupportedFiles.Works/1
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -39577,8 +39610,8 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] ModuleSupported/SetForceSupportedFiles.Works/1 (1 ms)
-59: [----------] 2 tests from ModuleSupported/SetForceSupportedFiles (2 ms total)
+59: [       OK ] ModuleSupported/SetForceSupportedFiles.Works/1 (0 ms)
+59: [----------] 2 tests from ModuleSupported/SetForceSupportedFiles (1 ms total)
 59: 
 59: [----------] 4 tests from ModuleUnSupported/SetForceUnSupportedFiles
 59: [ RUN      ] ModuleUnSupported/SetForceUnSupportedFiles.Works/0
@@ -39603,7 +39636,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] ModuleSupported/SetPrecisionSupportedFiles.Works/0 (1 ms)
+59: [       OK ] ModuleSupported/SetPrecisionSupportedFiles.Works/0 (0 ms)
 59: [ RUN      ] ModuleSupported/SetPrecisionSupportedFiles.Works/1
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -39641,7 +39674,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] ModuleSupported/NoOptionalOutput.Works/0 (1 ms)
+59: [       OK ] ModuleSupported/NoOptionalOutput.Works/0 (0 ms)
 59: [ RUN      ] ModuleSupported/NoOptionalOutput.Works/1
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -39653,7 +39686,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] ModuleSupported/NoOptionalOutput.Works/1 (1 ms)
+59: [       OK ] ModuleSupported/NoOptionalOutput.Works/1 (0 ms)
 59: [ RUN      ] ModuleSupported/NoOptionalOutput.Works/2
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -39677,13 +39710,13 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] ModuleSupported/NoOptionalOutput.Works/3 (1 ms)
-59: [----------] 4 tests from ModuleSupported/NoOptionalOutput (5 ms total)
+59: [       OK ] ModuleSupported/NoOptionalOutput.Works/3 (0 ms)
+59: [----------] 4 tests from ModuleSupported/NoOptionalOutput (4 ms total)
 59: 
 59: [----------] Global test environment tear-down
-59: [==========] 67 tests from 20 test suites ran. (80 ms total)
+59: [==========] 67 tests from 20 test suites ran. (50 ms total)
 59: [  PASSED  ] 67 tests.
-59/92 Test #59: CoordinateIOTests .........................   Passed    0.10 sec
+59/92 Test #59: CoordinateIOTests .........................   Passed    0.07 sec
 test 60
       Start 60: TrajectoryAnalysisUnitTests
 
@@ -39705,7 +39738,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] AngleModuleTest.ComputesSimpleAngles (4 ms)
+60: [       OK ] AngleModuleTest.ComputesSimpleAngles (3 ms)
 60: [ RUN      ] AngleModuleTest.ComputesDihedrals
 60: Analyzed topology coordinates
 60: 
@@ -39731,7 +39764,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] AngleModuleTest.ComputesVectorPairAngles (3 ms)
+60: [       OK ] AngleModuleTest.ComputesVectorPairAngles (1 ms)
 60: [ RUN      ] AngleModuleTest.ComputesVectorPlanePairAngles
 60: Analyzed topology coordinates
 60: 
@@ -39757,7 +39790,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] AngleModuleTest.ComputesPlaneZAxisAngles (3 ms)
+60: [       OK ] AngleModuleTest.ComputesPlaneZAxisAngles (1 ms)
 60: [ RUN      ] AngleModuleTest.ComputesVectorSphereNormalZAxisAngles
 60: Analyzed topology coordinates
 60: 
@@ -39770,7 +39803,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] AngleModuleTest.ComputesVectorSphereNormalZAxisAngles (3 ms)
+60: [       OK ] AngleModuleTest.ComputesVectorSphereNormalZAxisAngles (1 ms)
 60: [ RUN      ] AngleModuleTest.ComputesVectorTimeZeroAngles
 60: Reading frames from gro file 'Test system for different angles', 33 atoms.
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
@@ -39785,7 +39818,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] AngleModuleTest.ComputesVectorTimeZeroAngles (3 ms)
+60: [       OK ] AngleModuleTest.ComputesVectorTimeZeroAngles (1 ms)
 60: [ RUN      ] AngleModuleTest.ComputesMultipleAngles
 60: Analyzed topology coordinates
 60: 
@@ -39798,7 +39831,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] AngleModuleTest.ComputesMultipleAngles (3 ms)
+60: [       OK ] AngleModuleTest.ComputesMultipleAngles (2 ms)
 60: [ RUN      ] AngleModuleTest.HandlesDynamicSelections
 60: Analyzed topology coordinates
 60: 
@@ -39811,7 +39844,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] AngleModuleTest.HandlesDynamicSelections (3 ms)
+60: [       OK ] AngleModuleTest.HandlesDynamicSelections (1 ms)
 60: [ RUN      ] AngleModuleTest.HandlesOneVsMultipleVectorAngles
 60: Analyzed topology coordinates
 60: 
@@ -39824,7 +39857,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] AngleModuleTest.HandlesOneVsMultipleVectorAngles (3 ms)
+60: [       OK ] AngleModuleTest.HandlesOneVsMultipleVectorAngles (1 ms)
 60: [ RUN      ] AngleModuleTest.HandlesOneVsMultipleVectorGroupsAngles
 60: Analyzed topology coordinates
 60: 
@@ -39837,8 +39870,8 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] AngleModuleTest.HandlesOneVsMultipleVectorGroupsAngles (2 ms)
-60: [----------] 11 tests from AngleModuleTest (37 ms total)
+60: [       OK ] AngleModuleTest.HandlesOneVsMultipleVectorGroupsAngles (1 ms)
+60: [----------] 11 tests from AngleModuleTest (23 ms total)
 60: 
 60: [----------] 5 tests from ClustsizeTest
 60: [ RUN      ] ClustsizeTest.NoMolDefaultCutoff
@@ -39849,7 +39882,7 @@
 60: Total number of atoms in clusters =  24
 60: cmid: 2, cmax: 4, max_size: 6
 60:  16% 33% 50% 66% 83%100%cmid: 6, cmax: 18, max_size: 6
-60:  16% 33% 50% 66% 83%100%[       OK ] ClustsizeTest.NoMolDefaultCutoff (2 ms)
+60:  16% 33% 50% 66% 83%100%[       OK ] ClustsizeTest.NoMolDefaultCutoff (1 ms)
 60: [ RUN      ] ClustsizeTest.NoMolShortCutoff
 60: Reading frames from pdb file
Reading frame       0 time    0.000   Group     0 (            SOL) has    24 elements
 60: There is one group in the index
@@ -39858,7 +39891,7 @@
 60: Total number of atoms in clusters =  24
 60: cmid: 1, cmax: 6, max_size: 6
 60:  16% 33% 50% 66% 83%100%cmid: 6, cmax: 18, max_size: 6
-60:  16% 33% 50% 66% 83%100%[       OK ] ClustsizeTest.NoMolShortCutoff (2 ms)
+60:  16% 33% 50% 66% 83%100%[       OK ] ClustsizeTest.NoMolShortCutoff (1 ms)
 60: [ RUN      ] ClustsizeTest.MolDefaultCutoff
 60: Reading frames from pdb file
Reading frame       0 time    0.000   Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
@@ -39867,7 +39900,7 @@
 60: Total number of atoms in clusters =  8
 60: cmid: 2, cmax: 4, max_size: 2
 60:  50%100%cmid: 2, cmax: 6, max_size: 2
-60:  50%100%[       OK ] ClustsizeTest.MolDefaultCutoff (3 ms)
+60:  50%100%[       OK ] ClustsizeTest.MolDefaultCutoff (1 ms)
 60: [ RUN      ] ClustsizeTest.MolShortCutoff
 60: Reading frames from pdb file
Reading frame       0 time    0.000   Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
@@ -39876,7 +39909,7 @@
 60: Total number of atoms in clusters =  8
 60: cmid: 1, cmax: 6, max_size: 2
 60:  50%100%cmid: 2, cmax: 6, max_size: 2
-60:  50%100%[       OK ] ClustsizeTest.MolShortCutoff (2 ms)
+60:  50%100%[       OK ] ClustsizeTest.MolShortCutoff (1 ms)
 60: [ RUN      ] ClustsizeTest.MolCSize
 60: Reading frames from pdb file
Reading frame       0 time    0.000   Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
@@ -39885,12 +39918,12 @@
 60: Total number of atoms in clusters =  8
 60: cmid: 2, cmax: 4, max_size: 2
 60:  50%100%cmid: 2, cmax: 6, max_size: 2
-60:  50%100%[       OK ] ClustsizeTest.MolCSize (2 ms)
-60: [----------] 5 tests from ClustsizeTest (13 ms total)
+60:  50%100%[       OK ] ClustsizeTest.MolCSize (1 ms)
+60: [----------] 5 tests from ClustsizeTest (7 ms total)
 60: 
 60: [----------] 4 tests from TrajectoryAnalysisCommandLineRunnerTest
 60: [ RUN      ] TrajectoryAnalysisCommandLineRunnerTest.WritesHelp
-60: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.WritesHelp (1 ms)
+60: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.WritesHelp (0 ms)
 60: [ RUN      ] TrajectoryAnalysisCommandLineRunnerTest.RunsWithSubsetTrajectory
 60: Reading frames from gro file 'Test system', 8 atoms.
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
@@ -39905,7 +39938,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.RunsWithSubsetTrajectory (2 ms)
+60: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.RunsWithSubsetTrajectory (1 ms)
 60: [ RUN      ] TrajectoryAnalysisCommandLineRunnerTest.DetectsIncorrectTrajectorySubset
 60: Reading frames from gro file 'Test system', 8 atoms.
 60: 
Reading frame       0 time    0.000   
@@ -39918,10 +39951,10 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.DetectsIncorrectTrajectorySubset (2 ms)
+60: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.DetectsIncorrectTrajectorySubset (1 ms)
 60: [ RUN      ] TrajectoryAnalysisCommandLineRunnerTest.FailsWithTrajectorySubsetWithoutTrajectory
 60: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.FailsWithTrajectorySubsetWithoutTrajectory (0 ms)
-60: [----------] 4 tests from TrajectoryAnalysisCommandLineRunnerTest (7 ms total)
+60: [----------] 4 tests from TrajectoryAnalysisCommandLineRunnerTest (4 ms total)
 60: 
 60: [----------] 4 tests from ConvertTrjModuleTest
 60: [ RUN      ] ConvertTrjModuleTest.WritesNormalOutput
@@ -39929,28 +39962,28 @@
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
 60: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 60: Analyzed 1 frames, last time 0.000
-60: [       OK ] ConvertTrjModuleTest.WritesNormalOutput (11 ms)
+60: [       OK ] ConvertTrjModuleTest.WritesNormalOutput (5 ms)
 60: [ RUN      ] ConvertTrjModuleTest.WritesAtomSubset
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
 60: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 60: Analyzed 1 frames, last time 0.000
-60: [       OK ] ConvertTrjModuleTest.WritesAtomSubset (9 ms)
+60: [       OK ] ConvertTrjModuleTest.WritesAtomSubset (5 ms)
 60: [ RUN      ] ConvertTrjModuleTest.WorksWithAtomAdding
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 24 atoms
 60: 
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
 60: Analyzed 2 frames, last time 0.000
-60: [       OK ] ConvertTrjModuleTest.WorksWithAtomAdding (2 ms)
+60: [       OK ] ConvertTrjModuleTest.WorksWithAtomAdding (1 ms)
 60: [ RUN      ] ConvertTrjModuleTest.WorksWithAtomsAndSelection
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 24 atoms
 60: 
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
 60: Analyzed 2 frames, last time 0.000
-60: [       OK ] ConvertTrjModuleTest.WorksWithAtomsAndSelection (2 ms)
-60: [----------] 4 tests from ConvertTrjModuleTest (26 ms total)
+60: [       OK ] ConvertTrjModuleTest.WorksWithAtomsAndSelection (1 ms)
+60: [----------] 4 tests from ConvertTrjModuleTest (13 ms total)
 60: 
 60: [----------] 6 tests from DistanceModuleTest
 60: [ RUN      ] DistanceModuleTest.ComputesDistances
@@ -39969,7 +40002,7 @@
 60:   Number of samples:  5
 60:   Average distance:   1.43246  nm
 60:   Standard deviation: 0.96700  nm
-60: [       OK ] DistanceModuleTest.ComputesDistances (2 ms)
+60: [       OK ] DistanceModuleTest.ComputesDistances (1 ms)
 60: [ RUN      ] DistanceModuleTest.ComputesMultipleDistances
 60: Analyzed topology coordinates
 60: 
@@ -39990,7 +40023,7 @@
 60:   Number of samples:  4
 60:   Average distance:   1.81066  nm
 60:   Standard deviation: 0.79289  nm
-60: [       OK ] DistanceModuleTest.ComputesMultipleDistances (3 ms)
+60: [       OK ] DistanceModuleTest.ComputesMultipleDistances (1 ms)
 60: [ RUN      ] DistanceModuleTest.HandlesDynamicSelections
 60: Analyzed topology coordinates
 60: 
@@ -40007,7 +40040,7 @@
 60:   Number of samples:  3
 60:   Average distance:   1.72076  nm
 60:   Standard deviation: 1.24839  nm
-60: [       OK ] DistanceModuleTest.HandlesDynamicSelections (3 ms)
+60: [       OK ] DistanceModuleTest.HandlesDynamicSelections (1 ms)
 60: [ RUN      ] DistanceModuleTest.HandlesSelectionFromGroup
 60: Analyzed topology coordinates
 60: 
@@ -40024,7 +40057,7 @@
 60:   Number of samples:  2
 60:   Average distance:   1.00000  nm
 60:   Standard deviation: 0.00000  nm
-60: [       OK ] DistanceModuleTest.HandlesSelectionFromGroup (7 ms)
+60: [       OK ] DistanceModuleTest.HandlesSelectionFromGroup (3 ms)
 60: [ RUN      ] DistanceModuleTest.HandlesSelectionFromGroupWithSuccessiveIndices
 60: Analyzed topology coordinates
 60: 
@@ -40041,7 +40074,7 @@
 60:   Number of samples:  2
 60:   Average distance:   1.00000  nm
 60:   Standard deviation: 0.00000  nm
-60: [       OK ] DistanceModuleTest.HandlesSelectionFromGroupWithSuccessiveIndices (6 ms)
+60: [       OK ] DistanceModuleTest.HandlesSelectionFromGroupWithSuccessiveIndices (3 ms)
 60: [ RUN      ] DistanceModuleTest.HandlesSelectionFromLargeGroup
 60: Analyzed topology coordinates
 60: 
@@ -40058,8 +40091,8 @@
 60:   Number of samples:  10
 60:   Average distance:   1.82913  nm
 60:   Standard deviation: 0.78478  nm
-60: [       OK ] DistanceModuleTest.HandlesSelectionFromLargeGroup (6 ms)
-60: [----------] 6 tests from DistanceModuleTest (30 ms total)
+60: [       OK ] DistanceModuleTest.HandlesSelectionFromLargeGroup (4 ms)
+60: [----------] 6 tests from DistanceModuleTest (17 ms total)
 60: 
 60: [----------] 2 tests from ExtractClusterModuleTest
 60: [ RUN      ] ExtractClusterModuleTest.WorksWithAllAtoms
@@ -40067,13 +40100,13 @@
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.002   
Reading frame       2 time    0.004   
Reading frame       3 time    0.006   
Reading frame       4 time    0.008   
Reading frame       5 time    0.010   
Reading frame       6 time    0.012   
Reading frame       7 time    0.014   
Reading frame       8 time    0.016   
Reading frame       9 time    0.018   
Reading frame      10 time    0.020   
Reading frame      11 time    0.022   
Reading frame      12 time    0.024   
Reading frame      13 time    0.026   
Reading frame      14 time    0.028   
Reading frame      15 time    0.030   
Reading frame      16 time    0.032   
Reading frame      17 time    0.034   
Reading frame      18 time    0.036   
Reading frame      19 time    0.038   
Reading frame      20 time    0.040   
 60: Analyzed 26 frames, last time 0.050
 60: There are 8 clusters containing 26 structures, highest framenr is 25
-60: [       OK ] ExtractClusterModuleTest.WorksWithAllAtoms (2 ms)
+60: [       OK ] ExtractClusterModuleTest.WorksWithAllAtoms (1 ms)
 60: [ RUN      ] ExtractClusterModuleTest.WorksWithAtomSubset
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.002   
Reading frame       2 time    0.004   
Reading frame       3 time    0.006   
Reading frame       4 time    0.008   
Reading frame       5 time    0.010   
Reading frame       6 time    0.012   
Reading frame       7 time    0.014   
Reading frame       8 time    0.016   
Reading frame       9 time    0.018   
Reading frame      10 time    0.020   
Reading frame      11 time    0.022   
Reading frame      12 time    0.024   
Reading frame      13 time    0.026   
Reading frame      14 time    0.028   
Reading frame      15 time    0.030   
Reading frame      16 time    0.032   
Reading frame      17 time    0.034   
Reading frame      18 time    0.036   
Reading frame      19 time    0.038   
Reading frame      20 time    0.040   
 60: Analyzed 26 frames, last time 0.050
 60: There are 8 clusters containing 26 structures, highest framenr is 25
 60: [       OK ] ExtractClusterModuleTest.WorksWithAtomSubset (1 ms)
-60: [----------] 2 tests from ExtractClusterModuleTest (4 ms total)
+60: [----------] 2 tests from ExtractClusterModuleTest (3 ms total)
 60: 
 60: [----------] 2 tests from FreeVolumeModuleTest
 60: [ RUN      ] FreeVolumeModuleTest.ComputesFreeVolume
@@ -40142,7 +40175,7 @@
 60: Molecular volume Vm assuming homogeneity: 0.2027 +/- 0.0000 nm^3
 60: Molecular van der Waals volume assuming homogeneity:  0.1256 +/- 0.0000 nm^3
 60: Fractional free volume 0.194 +/- 0.000
-60: [       OK ] FreeVolumeModuleTest.ComputesFreeVolume (49 ms)
+60: [       OK ] FreeVolumeModuleTest.ComputesFreeVolume (39 ms)
 60: [ RUN      ] FreeVolumeModuleTest.ComputesFreeVolumeSelection
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
@@ -40199,8 +40232,8 @@
 60: Molecular volume Vm assuming homogeneity: 0.2027 +/- 0.0000 nm^3
 60: Molecular van der Waals volume assuming homogeneity:  0.1247 +/- 0.0000 nm^3
 60: Fractional free volume 0.200 +/- 0.000
-60: [       OK ] FreeVolumeModuleTest.ComputesFreeVolumeSelection (42 ms)
-60: [----------] 2 tests from FreeVolumeModuleTest (91 ms total)
+60: [       OK ] FreeVolumeModuleTest.ComputesFreeVolumeSelection (39 ms)
+60: [----------] 2 tests from FreeVolumeModuleTest (78 ms total)
 60: 
 60: [----------] 13 tests from MsdModuleTest
 60: [ RUN      ] MsdModuleTest.threeDimensionalDiffusion
@@ -40298,7 +40331,7 @@
 60: WARNING: -dt and -trestart are equal. Statistics for each tau data point will not be independent.
 60: 
Reading frame       2 time    4.000   
Reading frame       3 time    6.000   
Reading frame       4 time    8.000   
Reading frame       5 time   10.000   
Reading frame       6 time   12.000   
Reading frame       7 time   14.000   
Reading frame       8 time   16.000   
Reading frame       9 time   18.000   
Reading frame      10 time   20.000   
Reading frame      11 time   22.000   
Reading frame      12 time   24.000   
Reading frame      13 time   26.000   
Reading frame      14 time   28.000   
Reading frame      15 time   30.000   
Reading frame      16 time   32.000   
Reading frame      17 time   34.000   
Reading frame      18 time   36.000   
Reading frame      19 time   38.000   
Reading frame      20 time   40.000   
Last frame         20 time   40.000   
 60: Analyzed 21 frames, last time 40.000
-60: Setting the LD random seed to -268960298
+60: Setting the LD random seed to -4798498
 60: 
 60: Generated 2145 of the 2145 non-bonded parameter combinations
 60: 
@@ -40327,7 +40360,7 @@
 60: Note that mdrun will redetermine rlist based on the actual pair-list setup
 60: 
 60: This run will generate roughly 0 Mb of data
-60: [       OK ] MsdModuleTest.multipleGroupsWork (16 ms)
+60: [       OK ] MsdModuleTest.multipleGroupsWork (13 ms)
 60: [ RUN      ] MsdModuleTest.subPicosecondTrajectoryWorks
 60: 
 60: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_subPicosecondTrajectoryWorks.mdp]:
@@ -40367,7 +40400,7 @@
 60: WARNING: -dt and -trestart are equal. Statistics for each tau data point will not be independent.
 60: 
Reading frame       2 time    0.200   
Reading frame       3 time    0.300   
Reading frame       4 time    0.400   
Reading frame       5 time    0.500   
Reading frame       6 time    0.600   
Reading frame       7 time    0.700   
Reading frame       8 time    0.800   
Reading frame       9 time    0.900   
Reading frame      10 time    1.000   
Reading frame      11 time    1.100   
Reading frame      12 time    1.200   
Reading frame      13 time    1.300   
Reading frame      14 time    1.400   
Reading frame      15 time    1.500   
Reading frame      16 time    1.600   
Reading frame      17 time    1.700   
Reading frame      18 time    1.800   
Reading frame      19 time    1.900   
Reading frame      20 time    2.000   
Last frame         20 time    2.000   
 60: Analyzed 21 frames, last time 2.000
-60: Setting the LD random seed to 2133585023
+60: Setting the LD random seed to -739247361
 60: 
 60: Generated 2145 of the 2145 non-bonded parameter combinations
 60: 
@@ -40396,7 +40429,7 @@
 60: Note that mdrun will redetermine rlist based on the actual pair-list setup
 60: 
 60: This run will generate roughly 0 Mb of data
-60: [       OK ] MsdModuleTest.subPicosecondTrajectoryWorks (13 ms)
+60: [       OK ] MsdModuleTest.subPicosecondTrajectoryWorks (12 ms)
 60: [ RUN      ] MsdModuleTest.trestartLessThanDt
 60: 
 60: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_trestartLessThanDt.mdp]:
@@ -40432,7 +40465,7 @@
 60: There were 5 NOTEs
 60: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_trestartLessThanDt.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_trestartLessThanDt.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-60: 
Reading frame       0 time    0.000   
Reading frame       1 time    2.000   Setting the LD random seed to -1181767
+60: 
Reading frame       0 time    0.000   
Reading frame       1 time    2.000   Setting the LD random seed to -360926409
 60: 
 60: Generated 2145 of the 2145 non-bonded parameter combinations
 60: 
@@ -40499,7 +40532,7 @@
 60: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_trestartGreaterThanDt.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time    2.000   
Reading frame       2 time    4.000   
Reading frame       3 time    6.000   
Reading frame       4 time    8.000   
Reading frame       5 time   10.000   
Reading frame       6 time   12.000   
Reading frame       7 time   14.000   
Reading frame       8 time   16.000   
Reading frame       9 time   18.000   
Reading frame      10 time   20.000   
Reading frame      11 time   22.000   
Reading frame      12 time   24.000   
Reading frame      13 time   26.000   
Reading frame      14 time   28.000   
Reading frame      15 time   30.000   
Reading frame      16 time   32.000   
Reading frame      17 time   34.000   
Reading frame      18 time   36.000   
Reading frame      19 time   38.000   
Reading frame      20 time   40.000   
Last frame         20 time   40.000   
 60: Analyzed 21 frames, last time 40.000
-60: Setting the LD random seed to -1112673929
+60: Setting the LD random seed to 914358167
 60: 
 60: Generated 2145 of the 2145 non-bonded parameter combinations
 60: 
@@ -40564,7 +40597,7 @@
 60: There were 5 NOTEs
 60: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_trestartGreaterThanDtAndNotAMultipleOfDt.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_trestartGreaterThanDtAndNotAMultipleOfDt.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-60: 
Reading frame       0 time    0.000   
Reading frame       1 time    2.000   Setting the LD random seed to 1727823599
+60: 
Reading frame       0 time    0.000   
Reading frame       1 time    2.000   Setting the LD random seed to 1841147322
 60: 
 60: Generated 2145 of the 2145 non-bonded parameter combinations
 60: 
@@ -40631,7 +40664,7 @@
 60: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_molTest.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time    2.000   
Reading frame       2 time    4.000   
Reading frame       3 time    6.000   
Reading frame       4 time    8.000   
Reading frame       5 time   10.000   
Reading frame       6 time   12.000   
Reading frame       7 time   14.000   
Reading frame       8 time   16.000   
Reading frame       9 time   18.000   
Reading frame      10 time   20.000   
Reading frame      11 time   22.000   
Reading frame      12 time   24.000   
Reading frame      13 time   26.000   
Reading frame      14 time   28.000   
Reading frame      15 time   30.000   
Reading frame      16 time   32.000   
Reading frame      17 time   34.000   
Reading frame      18 time   36.000   
Reading frame      19 time   38.000   
Reading frame      20 time   40.000   
Last frame         20 time   40.000   
 60: Analyzed 21 frames, last time 40.000
-60: Setting the LD random seed to -1352945927
+60: Setting the LD random seed to -1150955522
 60: 
 60: Generated 2145 of the 2145 non-bonded parameter combinations
 60: 
@@ -40660,7 +40693,7 @@
 60: Note that mdrun will redetermine rlist based on the actual pair-list setup
 60: 
 60: This run will generate roughly 0 Mb of data
-60: [       OK ] MsdModuleTest.molTest (12 ms)
+60: [       OK ] MsdModuleTest.molTest (11 ms)
 60: [ RUN      ] MsdModuleTest.beginFit
 60: 
 60: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_beginFit.mdp]:
@@ -40700,7 +40733,7 @@
 60: WARNING: -dt and -trestart are equal. Statistics for each tau data point will not be independent.
 60: 
Reading frame       2 time    4.000   
Reading frame       3 time    6.000   
Reading frame       4 time    8.000   
Reading frame       5 time   10.000   
Reading frame       6 time   12.000   
Reading frame       7 time   14.000   
Reading frame       8 time   16.000   
Reading frame       9 time   18.000   
Reading frame      10 time   20.000   
Reading frame      11 time   22.000   
Reading frame      12 time   24.000   
Reading frame      13 time   26.000   
Reading frame      14 time   28.000   
Reading frame      15 time   30.000   
Reading frame      16 time   32.000   
Reading frame      17 time   34.000   
Reading frame      18 time   36.000   
Reading frame      19 time   38.000   
Reading frame      20 time   40.000   
Last frame         20 time   40.000   
 60: Analyzed 21 frames, last time 40.000
-60: Setting the LD random seed to -17
+60: Setting the LD random seed to -939807897
 60: 
 60: Generated 2145 of the 2145 non-bonded parameter combinations
 60: 
@@ -40769,7 +40802,7 @@
 60: WARNING: -dt and -trestart are equal. Statistics for each tau data point will not be independent.
 60: 
Reading frame       2 time    4.000   
Reading frame       3 time    6.000   
Reading frame       4 time    8.000   
Reading frame       5 time   10.000   
Reading frame       6 time   12.000   
Reading frame       7 time   14.000   
Reading frame       8 time   16.000   
Reading frame       9 time   18.000   
Reading frame      10 time   20.000   
Reading frame      11 time   22.000   
Reading frame      12 time   24.000   
Reading frame      13 time   26.000   
Reading frame      14 time   28.000   
Reading frame      15 time   30.000   
Reading frame      16 time   32.000   
Reading frame      17 time   34.000   
Reading frame      18 time   36.000   
Reading frame      19 time   38.000   
Reading frame      20 time   40.000   
Last frame         20 time   40.000   
 60: Analyzed 21 frames, last time 40.000
-60: Setting the LD random seed to -33956393
+60: Setting the LD random seed to 1946140511
 60: 
 60: Generated 2145 of the 2145 non-bonded parameter combinations
 60: 
@@ -40798,7 +40831,7 @@
 60: Note that mdrun will redetermine rlist based on the actual pair-list setup
 60: 
 60: This run will generate roughly 0 Mb of data
-60: [       OK ] MsdModuleTest.endFit (12 ms)
+60: [       OK ] MsdModuleTest.endFit (11 ms)
 60: [ RUN      ] MsdModuleTest.notEnoughPointsForFitErrorEstimate
 60: 
 60: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_notEnoughPointsForFitErrorEstimate.mdp]:
@@ -40841,7 +40874,7 @@
 60: WARNING: -dt and -trestart are equal. Statistics for each tau data point will not be independent.
 60: 
Reading frame       2 time    4.000   
Reading frame       3 time    6.000   
Reading frame       4 time    8.000   
Reading frame       5 time   10.000   
Reading frame       6 time   12.000   
Reading frame       7 time   14.000   
Reading frame       8 time   16.000   
Reading frame       9 time   18.000   
Reading frame      10 time   20.000   
Reading frame      11 time   22.000   
Reading frame      12 time   24.000   
Reading frame      13 time   26.000   
Reading frame      14 time   28.000   
Reading frame      15 time   30.000   
Reading frame      16 time   32.000   
Reading frame      17 time   34.000   
Reading frame      18 time   36.000   
Reading frame      19 time   38.000   
Reading frame      20 time   40.000   
Last frame         20 time   40.000   
 60: Analyzed 21 frames, last time 40.000
-60: Setting the LD random seed to -1711308881
+60: Setting the LD random seed to -6365202
 60: 
 60: Generated 2145 of the 2145 non-bonded parameter combinations
 60: 
@@ -40871,7 +40904,7 @@
 60: 
 60: This run will generate roughly 0 Mb of data
 60: [       OK ] MsdModuleTest.notEnoughPointsForFitErrorEstimate (12 ms)
-60: [----------] 13 tests from MsdModuleTest (120 ms total)
+60: [----------] 13 tests from MsdModuleTest (113 ms total)
 60: 
 60: [----------] 9 tests from PairDistanceModuleTest
 60: [ RUN      ] PairDistanceModuleTest.ComputesAllDistances
@@ -40990,8 +41023,8 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwrittenWithExplicitGroup (0 ms)
-60: [----------] 9 tests from PairDistanceModuleTest (11 ms total)
+60: [       OK ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwrittenWithExplicitGroup (1 ms)
+60: [----------] 9 tests from PairDistanceModuleTest (10 ms total)
 60: 
 60: [----------] 5 tests from RdfModuleTest
 60: [ RUN      ] RdfModuleTest.BasicTest
@@ -41006,12 +41039,12 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] RdfModuleTest.BasicTest (11 ms)
+60: [       OK ] RdfModuleTest.BasicTest (9 ms)
 60: [ RUN      ] RdfModuleTest.SelectionsSolelyFromIndexFileWork
 60: Reading frames from gro file '216H2O,WATJP01,SPC216,SPC-MODEL,300K,BOX(M)=1.86206NM,WFVG,MAR. 1984', 648 atoms.
 60: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 60: Analyzed 1 frames, last time 0.000
-60: [       OK ] RdfModuleTest.SelectionsSolelyFromIndexFileWork (10 ms)
+60: [       OK ] RdfModuleTest.SelectionsSolelyFromIndexFileWork (8 ms)
 60: [ RUN      ] RdfModuleTest.SelectionsFromBothTopologyFileAndIndexFileWork
 60: Analyzed topology coordinates
 60: 
@@ -41024,7 +41057,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] RdfModuleTest.SelectionsFromBothTopologyFileAndIndexFileWork (11 ms)
+60: [       OK ] RdfModuleTest.SelectionsFromBothTopologyFileAndIndexFileWork (9 ms)
 60: [ RUN      ] RdfModuleTest.CalculatesSurf
 60: Analyzed topology coordinates
 60: 
@@ -41050,8 +41083,8 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] RdfModuleTest.CalculatesXY (13 ms)
-60: [----------] 5 tests from RdfModuleTest (51 ms total)
+60: [       OK ] RdfModuleTest.CalculatesXY (11 ms)
+60: [----------] 5 tests from RdfModuleTest (43 ms total)
 60: 
 60: [----------] 5 tests from SasaModuleTest
 60: [ RUN      ] SasaModuleTest.BasicTest
@@ -41097,7 +41130,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Analyzed topology coordinates
-60: [       OK ] SasaModuleTest.BasicTest (6 ms)
+60: [       OK ] SasaModuleTest.BasicTest (5 ms)
 60: [ RUN      ] SasaModuleTest.HandlesSelectedResidues
 60: 
 60: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
@@ -41141,7 +41174,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Analyzed topology coordinates
-60: [       OK ] SasaModuleTest.HandlesSelectedResidues (3 ms)
+60: [       OK ] SasaModuleTest.HandlesSelectedResidues (2 ms)
 60: [ RUN      ] SasaModuleTest.WritesConnollySurfaceWithSolute
 60: 
 60: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
@@ -41229,7 +41262,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Analyzed topology coordinates
-60: [       OK ] SasaModuleTest.HandlesDynamicOutputGroup (4 ms)
+60: [       OK ] SasaModuleTest.HandlesDynamicOutputGroup (3 ms)
 60: [ RUN      ] SasaModuleTest.HandlesDynamicCalculationGroup
 60: 
 60: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
@@ -41274,7 +41307,7 @@
 60: 
 60: Analyzed topology coordinates
 60: [       OK ] SasaModuleTest.HandlesDynamicCalculationGroup (3 ms)
-60: [----------] 5 tests from SasaModuleTest (20 ms total)
+60: [----------] 5 tests from SasaModuleTest (17 ms total)
 60: 
 60: [----------] 8 tests from SelectModuleTest
 60: [ RUN      ] SelectModuleTest.BasicTest
@@ -41377,7 +41410,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] SelectModuleTest.WritesResidueNumbers (1 ms)
+60: [       OK ] SelectModuleTest.WritesResidueNumbers (0 ms)
 60: [ RUN      ] SelectModuleTest.WritesResidueIndices
 60: Analyzed topology coordinates
 60: 
@@ -41390,8 +41423,8 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] SelectModuleTest.WritesResidueIndices (1 ms)
-60: [----------] 8 tests from SelectModuleTest (12 ms total)
+60: [       OK ] SelectModuleTest.WritesResidueIndices (0 ms)
+60: [----------] 8 tests from SelectModuleTest (10 ms total)
 60: 
 60: [----------] 10 tests from SurfaceAreaTest
 60: [ RUN      ] SurfaceAreaTest.ComputesSinglePoint
@@ -41407,14 +41440,14 @@
 60: [ RUN      ] SurfaceAreaTest.SurfacePoints42
 60: [       OK ] SurfaceAreaTest.SurfacePoints42 (0 ms)
 60: [ RUN      ] SurfaceAreaTest.SurfacePoints122
-60: [       OK ] SurfaceAreaTest.SurfacePoints122 (1 ms)
+60: [       OK ] SurfaceAreaTest.SurfacePoints122 (0 ms)
 60: [ RUN      ] SurfaceAreaTest.Computes100Points
 60: [       OK ] SurfaceAreaTest.Computes100Points (0 ms)
 60: [ RUN      ] SurfaceAreaTest.Computes100PointsWithRectangularPBC
 60: [       OK ] SurfaceAreaTest.Computes100PointsWithRectangularPBC (1 ms)
 60: [ RUN      ] SurfaceAreaTest.Computes100PointsWithTriclinicPBC
 60: [       OK ] SurfaceAreaTest.Computes100PointsWithTriclinicPBC (1 ms)
-60: [----------] 10 tests from SurfaceAreaTest (6 ms total)
+60: [----------] 10 tests from SurfaceAreaTest (4 ms total)
 60: 
 60: [----------] 4 tests from TopologyInformation
 60: [ RUN      ] TopologyInformation.CantWorkWithoutReadingAFile
@@ -41476,7 +41509,7 @@
 60: There were 4 NOTEs
 60: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/TopologyInformation_WorksWithTprFromPdbFile_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/TopologyInformation_WorksWithTprFromPdbFile_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-60: Setting the LD random seed to -4219141
+60: Setting the LD random seed to -805843010
 60: 
 60: Generated 330891 of the 330891 non-bonded parameter combinations
 60: 
@@ -41490,8 +41523,8 @@
 60: Analysing Protein...
 60: 
 60: This run will generate roughly 0 Mb of data
-60: [       OK ] TopologyInformation.WorksWithTprFromPdbFile (155 ms)
-60: [----------] 4 tests from TopologyInformation (157 ms total)
+60: [       OK ] TopologyInformation.WorksWithTprFromPdbFile (157 ms)
+60: [----------] 4 tests from TopologyInformation (159 ms total)
 60: 
 60: [----------] 4 tests from TrajectoryModuleTest
 60: [ RUN      ] TrajectoryModuleTest.BasicTest
@@ -41607,7 +41640,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/0 (12 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/0 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/1
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -41673,7 +41706,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/2 (12 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/2 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/3
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -41838,7 +41871,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/7 (12 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/7 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/8
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -41937,7 +41970,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/10 (12 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/10 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/11
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -42069,7 +42102,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/14 (12 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/14 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/15
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -42102,7 +42135,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/15 (12 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/15 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/16
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -43323,7 +43356,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/52 (12 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/52 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/53
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -43554,7 +43587,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/59 (12 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/59 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/60
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -44148,7 +44181,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/77 (11 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/77 (10 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/78
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -44577,7 +44610,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/90 (11 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/90 (10 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/91
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -45633,7 +45666,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/122 (11 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/122 (10 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/123
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -45831,7 +45864,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/128 (9 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/128 (8 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/129
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -47911,7 +47944,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: [       OK ] MoleculeTests/DsspModuleTest.Works/191 (8 ms)
-60: [----------] 192 tests from MoleculeTests/DsspModuleTest (1975 ms total)
+60: [----------] 192 tests from MoleculeTests/DsspModuleTest (1937 ms total)
 60: 
 60: [----------] 3 tests from GyrateTests/GyrateModuleTest
 60: [ RUN      ] GyrateTests/GyrateModuleTest.Works/0
@@ -47919,7 +47952,7 @@
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time   10.000   
Last frame          1 time   10.000   
 60: Analyzed 2 frames, last time 10.000
-60: [       OK ] GyrateTests/GyrateModuleTest.Works/0 (4 ms)
+60: [       OK ] GyrateTests/GyrateModuleTest.Works/0 (3 ms)
 60: [ RUN      ] GyrateTests/GyrateModuleTest.Works/1
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -47931,8 +47964,8 @@
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time   10.000   
Last frame          1 time   10.000   
 60: Analyzed 2 frames, last time 10.000
-60: [       OK ] GyrateTests/GyrateModuleTest.Works/2 (4 ms)
-60: [----------] 3 tests from GyrateTests/GyrateModuleTest (12 ms total)
+60: [       OK ] GyrateTests/GyrateModuleTest.Works/2 (3 ms)
+60: [----------] 3 tests from GyrateTests/GyrateModuleTest (11 ms total)
 60: 
 60: [----------] 96 tests from HBondTests/HbondModuleTest
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/0
@@ -47952,7 +47985,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/0 (7 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/0 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/1
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -47970,7 +48003,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/1 (7 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/1 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/2
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -47988,7 +48021,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/2 (7 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/2 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/3
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48024,7 +48057,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/4 (6 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/4 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/5
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48042,7 +48075,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/5 (7 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/5 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/6
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48060,7 +48093,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/6 (7 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/6 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/7
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48078,7 +48111,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/7 (7 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/7 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/8
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48096,7 +48129,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/8 (8 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/8 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/9
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48114,7 +48147,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/9 (8 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/9 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/10
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48186,7 +48219,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/13 (7 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/13 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/14
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48240,7 +48273,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/16 (7 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/16 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/17
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48258,7 +48291,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/17 (7 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/17 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/18
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48294,7 +48327,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/19 (7 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/19 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/20
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48312,7 +48345,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/20 (7 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/20 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/21
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48330,7 +48363,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/21 (7 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/21 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/22
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48348,7 +48381,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/22 (7 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/22 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/23
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48402,7 +48435,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/25 (7 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/25 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/26
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48420,7 +48453,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/26 (7 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/26 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/27
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48456,7 +48489,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/28 (7 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/28 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/29
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48474,7 +48507,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/29 (7 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/29 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/30
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48492,7 +48525,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/30 (7 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/30 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/31
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48529,7 +48562,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/32 (39 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/32 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/33
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48548,7 +48581,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/33 (45 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/33 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/34
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48567,7 +48600,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/34 (44 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/34 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/35
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48586,7 +48619,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/35 (41 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/35 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/36
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48605,7 +48638,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/36 (43 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/36 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/37
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48624,7 +48657,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/37 (42 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/37 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/38
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48643,7 +48676,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/38 (42 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/38 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/39
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48662,7 +48695,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/39 (41 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/39 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/40
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48681,7 +48714,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/40 (40 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/40 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/41
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48700,7 +48733,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/41 (40 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/41 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/42
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48719,7 +48752,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/42 (41 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/42 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/43
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48738,7 +48771,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/43 (41 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/43 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/44
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48757,7 +48790,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/44 (47 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/44 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/45
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48776,7 +48809,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/45 (40 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/45 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/46
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48795,7 +48828,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/46 (42 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/46 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/47
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48834,7 +48867,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/48 (42 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/48 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/49
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48854,7 +48887,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/49 (40 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/49 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/50
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48894,7 +48927,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/51 (41 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/51 (35 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/52
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48914,7 +48947,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/52 (44 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/52 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/53
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48934,7 +48967,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/53 (43 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/53 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/54
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48954,7 +48987,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/54 (57 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/54 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/55
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48974,7 +49007,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/55 (44 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/55 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/56
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -48994,7 +49027,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/56 (44 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/56 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/57
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49014,7 +49047,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/57 (42 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/57 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/58
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49034,7 +49067,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/58 (40 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/58 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/59
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49054,7 +49087,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/59 (41 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/59 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/60
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49074,7 +49107,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/60 (44 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/60 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/61
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49094,7 +49127,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/61 (39 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/61 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/62
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49114,7 +49147,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/62 (40 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/62 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/63
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49134,7 +49167,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/63 (41 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/63 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/64
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49152,7 +49185,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/64 (43 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/64 (35 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/65
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49170,7 +49203,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/65 (39 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/65 (35 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/66
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49188,7 +49221,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/66 (37 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/66 (35 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/67
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49206,7 +49239,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/67 (41 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/67 (35 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/68
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49224,7 +49257,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/68 (41 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/68 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/69
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49242,7 +49275,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/69 (41 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/69 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/70
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49278,7 +49311,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/71 (42 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/71 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/72
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49296,7 +49329,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/72 (43 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/72 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/73
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49314,7 +49347,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/73 (46 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/73 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/74
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49332,7 +49365,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/74 (100 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/74 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/75
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49350,7 +49383,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/75 (62 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/75 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/76
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49368,7 +49401,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/76 (48 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/76 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/77
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49386,7 +49419,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/77 (42 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/77 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/78
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49404,7 +49437,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/78 (45 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/78 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/79
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49422,7 +49455,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/79 (45 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/79 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/80
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49440,7 +49473,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/80 (39 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/80 (35 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/81
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49458,7 +49491,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/81 (41 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/81 (35 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/82
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49476,7 +49509,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/82 (38 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/82 (34 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/83
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49494,7 +49527,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/83 (40 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/83 (34 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/84
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49512,7 +49545,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/84 (42 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/84 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/85
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49530,7 +49563,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/85 (44 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/85 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/86
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49548,7 +49581,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/86 (41 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/86 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/87
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49566,7 +49599,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/87 (44 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/87 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/88
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49584,7 +49617,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/88 (39 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/88 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/89
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49602,7 +49635,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/89 (41 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/89 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/90
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49620,7 +49653,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/90 (44 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/90 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/91
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49638,7 +49671,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/91 (44 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/91 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/92
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49656,7 +49689,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/92 (46 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/92 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/93
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49674,7 +49707,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/93 (44 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/93 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/94
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49692,7 +49725,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/94 (43 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/94 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/95
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -49710,8 +49743,8 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/95 (41 ms)
-60: [----------] 96 tests from HBondTests/HbondModuleTest (3359 ms total)
+60: [       OK ] HBondTests/HbondModuleTest.Works/95 (37 ms)
+60: [----------] 96 tests from HBondTests/HbondModuleTest (2919 ms total)
 60: 
 60: [----------] 4 tests from MoleculeTests/ScatteringModule
 60: [ RUN      ] MoleculeTests/ScatteringModule.DirectMode/0
@@ -49769,7 +49802,7 @@
 60: DOI: 10.1107/S0567739468000550
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/ScatteringModule.DirectMode/1 (160 ms)
+60: [       OK ] MoleculeTests/ScatteringModule.DirectMode/1 (161 ms)
 60: [ RUN      ] MoleculeTests/ScatteringModule.MCMode/0
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 156 atoms
 60: 
Last frame          0 time    0.000   
@@ -49793,7 +49826,7 @@
 60: DOI: 10.1134/S1027451013060372
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/ScatteringModule.MCMode/0 (6 ms)
+60: [       OK ] MoleculeTests/ScatteringModule.MCMode/0 (5 ms)
 60: [ RUN      ] MoleculeTests/ScatteringModule.MCMode/1
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 156 atoms
 60: 
Last frame          0 time    0.000   
@@ -49825,13 +49858,13 @@
 60: DOI: 10.1107/S0567739468000550
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/ScatteringModule.MCMode/1 (37 ms)
-60: [----------] 4 tests from MoleculeTests/ScatteringModule (212 ms total)
+60: [       OK ] MoleculeTests/ScatteringModule.MCMode/1 (36 ms)
+60: [----------] 4 tests from MoleculeTests/ScatteringModule (210 ms total)
 60: 
 60: [----------] Global test environment tear-down
-60: [==========] 393 tests from 21 test suites ran. (6156 ms total)
+60: [==========] 393 tests from 21 test suites ran. (5591 ms total)
 60: [  PASSED  ] 393 tests.
-60/92 Test #60: TrajectoryAnalysisUnitTests ...............   Passed    6.19 sec
+60/92 Test #60: TrajectoryAnalysisUnitTests ...............   Passed    5.62 sec
 test 61
       Start 61: EnergyAnalysisUnitTests
 
@@ -49856,8 +49889,8 @@
 61: 
 61: 
 61: Wrote 8 lambda values with 101 samples as 808 dH data blocks to /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/energyanalysis/tests/Testing/Temporary/DhdlTest_ExtractDhdl_dhdl.xvg
-61: [       OK ] DhdlTest.ExtractDhdl (14 ms)
-61: [----------] 1 test from DhdlTest (15 ms total)
+61: [       OK ] DhdlTest.ExtractDhdl (11 ms)
+61: [----------] 1 test from DhdlTest (11 ms total)
 61: 
 61: [----------] 1 test from OriresTest
 61: [ RUN      ] OriresTest.ExtractOrires
@@ -49868,8 +49901,8 @@
 61: End your selection with 0
 61: Selecting all 7 orientation restraints
 61: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.002         
Reading energy frame      2 time    0.004         
Reading energy frame      3 time    0.006         
Reading energy frame      4 time    0.008         
Reading energy frame      5 time    0.010         
Reading energy frame      6 time    0.012         
Reading energy frame      7 time    0.014         
Reading energy frame      8 time    0.016         
Reading energy frame      9 time    0.018         
Reading energy frame     10 time    0.020         
Last energy frame read 10 time    0.020         
-61: [       OK ] OriresTest.ExtractOrires (19 ms)
-61: [----------] 1 test from OriresTest (19 ms total)
+61: [       OK ] OriresTest.ExtractOrires (12 ms)
+61: [----------] 1 test from OriresTest (12 ms total)
 61: 
 61: [----------] 5 tests from EnergyTest
 61: [ RUN      ] EnergyTest.ExtractEnergy
@@ -49900,7 +49933,7 @@
 61: Potential                  -34142.2         39    228.993   -62.8906  (kJ/mol)
 61: Kinetic En.                 6132.38       0.42    119.428  -0.266996  (kJ/mol)
 61: Total Energy               -28009.8         39    258.637   -63.1577  (kJ/mol)
-61: [       OK ] EnergyTest.ExtractEnergy (3 ms)
+61: [       OK ] EnergyTest.ExtractEnergy (2 ms)
 61: [ RUN      ] EnergyTest.ExtractEnergyByNumber
 61: Opened /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file
 61: 
@@ -49929,7 +49962,7 @@
 61: Coul. recip.                302.771        2.8    17.5152    12.5403  (kJ/mol)
 61: Kinetic En.                 6132.38       0.42    119.428  -0.266996  (kJ/mol)
 61: Pres. DC                    -268.49          3    8.52175    13.2804  (bar)
-61: [       OK ] EnergyTest.ExtractEnergyByNumber (3 ms)
+61: [       OK ] EnergyTest.ExtractEnergyByNumber (2 ms)
 61: [ RUN      ] EnergyTest.ExtractEnergyMixed
 61: Opened /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file
 61: 
@@ -49959,7 +49992,7 @@
 61: Pressure                    5.34371        4.1    605.307   -4.88771  (bar)
 61: Box-Z                       2.92457     0.0054  0.0151558  0.0234974  (nm)
 61: Volume                      25.0162       0.14   0.386769   0.598615  (nm^3)
-61: [       OK ] EnergyTest.ExtractEnergyMixed (4 ms)
+61: [       OK ] EnergyTest.ExtractEnergyMixed (2 ms)
 61: [ RUN      ] EnergyTest.ExtractEnergyWithNumberInName
 61: Opened /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/tests/ener_numberInName.edr as single precision energy file
 61: 
@@ -49986,7 +50019,7 @@
 61: Energy                      Average   Err.Est.       RMSD  Tot-Drift
 61: -------------------------------------------------------------------------------
 61: 1/Viscosity                 57767.2         --    10666.2     -25998  (m s/kg)
-61: [       OK ] EnergyTest.ExtractEnergyWithNumberInName (1 ms)
+61: [       OK ] EnergyTest.ExtractEnergyWithNumberInName (0 ms)
 61: [ RUN      ] EnergyTest.ExtractEnergyWithNumberInNameAndAlsoByNumber
 61: Opened /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/tests/ener_numberInName.edr as single precision energy file
 61: 
@@ -50014,8 +50047,8 @@
 61: -------------------------------------------------------------------------------
 61: LJ (SR)                    -14.1095         --   0.384124   0.932214  (kJ/mol)
 61: 1/Viscosity                 57767.2         --    10666.2     -25998  (m s/kg)
-61: [       OK ] EnergyTest.ExtractEnergyWithNumberInNameAndAlsoByNumber (1 ms)
-61: [----------] 5 tests from EnergyTest (14 ms total)
+61: [       OK ] EnergyTest.ExtractEnergyWithNumberInNameAndAlsoByNumber (0 ms)
+61: [----------] 5 tests from EnergyTest (8 ms total)
 61: 
 61: [----------] 3 tests from ViscosityTest
 61: [ RUN      ] ViscosityTest.EinsteinViscosity
@@ -50041,7 +50074,7 @@
 61: Pressure                    5.34371        4.1    605.307   -4.88771  (bar)
 61: 
 61: Computing shear viscosity using the Einstein relation with 6 start points separated by 0.2 ps
-61: [       OK ] ViscosityTest.EinsteinViscosity (26 ms)
+61: [       OK ] ViscosityTest.EinsteinViscosity (24 ms)
 61: [ RUN      ] ViscosityTest.EinsteinViscosityIntegral
 61: Opened /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file
 61: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.200         
Reading energy frame      2 time    0.400         
Reading energy frame      3 time    0.600         
Reading energy frame      4 time    0.800         
Reading energy frame      5 time    1.000         
Reading energy frame      6 time    1.200         
Reading energy frame      7 time    1.400         
Reading energy frame      8 time    1.600         
Reading energy frame      9 time    1.800         
Reading energy frame     10 time    2.000         
Reading energy frame     11 time    2.200         
Reading energy frame     12 time    2.400         
Reading energy frame     13 time    2.600         
Reading energy frame     14 time    2.800         
Reading energy frame     15 time    3.000         
Reading energy frame     16 time    3.200         
Reading energy frame     17 time    3.400         
Reading energy frame     18 time    3.600         
Reading energy frame     19 time    3.800         
Reading energy frame     20 time    4.000         
Reading energy frame     30 time    6.000         
Reading energy frame     40 time    8.000         
Reading energy frame     50 time   10.000         
Last energy frame read 50 time   10.000         
@@ -50065,7 +50098,7 @@
 61: Pressure                    5.34371        4.1    605.307   -4.88771  (bar)
 61: 
 61: Computing shear viscosity using the Einstein relation with 6 start points separated by 0.2 ps
-61: [       OK ] ViscosityTest.EinsteinViscosityIntegral (21 ms)
+61: [       OK ] ViscosityTest.EinsteinViscosityIntegral (20 ms)
 61: [ RUN      ] ViscosityTest.EinsteinViscosityDefaultArguments
 61: Opened /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file
 61: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.200         
Reading energy frame      2 time    0.400         
Reading energy frame      3 time    0.600         
Reading energy frame      4 time    0.800         
Reading energy frame      5 time    1.000         
Reading energy frame      6 time    1.200         
Reading energy frame      7 time    1.400         
Reading energy frame      8 time    1.600         
Reading energy frame      9 time    1.800         
Reading energy frame     10 time    2.000         
Reading energy frame     11 time    2.200         
Reading energy frame     12 time    2.400         
Reading energy frame     13 time    2.600         
Reading energy frame     14 time    2.800         
Reading energy frame     15 time    3.000         
Reading energy frame     16 time    3.200         
Reading energy frame     17 time    3.400         
Reading energy frame     18 time    3.600         
Reading energy frame     19 time    3.800         
Reading energy frame     20 time    4.000         
Reading energy frame     30 time    6.000         
Reading energy frame     40 time    8.000         
Reading energy frame     50 time   10.000         
Last energy frame read 50 time   10.000         
@@ -50089,13 +50122,13 @@
 61: Pressure                    5.34371        4.1    605.307   -4.88771  (bar)
 61: 
 61: Computing shear viscosity using the Einstein relation with 6 start points separated by 0.2 ps
-61: [       OK ] ViscosityTest.EinsteinViscosityDefaultArguments (22 ms)
-61: [----------] 3 tests from ViscosityTest (70 ms total)
+61: [       OK ] ViscosityTest.EinsteinViscosityDefaultArguments (23 ms)
+61: [----------] 3 tests from ViscosityTest (69 ms total)
 61: 
 61: [----------] Global test environment tear-down
-61: [==========] 12 tests from 5 test suites ran. (119 ms total)
+61: [==========] 12 tests from 5 test suites ran. (102 ms total)
 61: [  PASSED  ] 12 tests.
-61/92 Test #61: EnergyAnalysisUnitTests ...................   Passed    0.14 sec
+61/92 Test #61: EnergyAnalysisUnitTests ...................   Passed    0.13 sec
 test 62
       Start 62: ToolUnitTests
 
@@ -50135,7 +50168,7 @@
 62: 
 62: 
 62: There were 4 NOTEs
-62: Setting the LD random seed to -77725841
+62: Setting the LD random seed to 1560182419
 62: 
 62: Generated 330891 of the 330891 non-bonded parameter combinations
 62: 
@@ -50165,7 +50198,7 @@
 62:    comm-mode                      = Linear
 62:    nstcomm                        = 100
 62:    bd-fric                        = 0
-62:    ld-seed                        = -77725841
+62:    ld-seed                        = 1560182419
 62:    emtol                          = 10
 62:    emstep                         = 0.01
 62:    niter                          = 20
@@ -53084,7 +53117,7 @@
 62: [       OK ] HelpwritingTest.DumpWritesHelp (0 ms)
 62: [ RUN      ] HelpwritingTest.ReportMethodsWritesHelp
 62: [       OK ] HelpwritingTest.ReportMethodsWritesHelp (0 ms)
-62: [----------] 3 tests from HelpwritingTest (1 ms total)
+62: [----------] 3 tests from HelpwritingTest (0 ms total)
 62: 
 62: [----------] 7 tests from GmxMakeNdx
 62: [ RUN      ] GmxMakeNdx.WritesDefaultProteinIndexGroups
@@ -53296,7 +53329,7 @@
 62: 
 62: 
 62: There were 4 NOTEs
-62: Setting the LD random seed to -10502686
+62: Setting the LD random seed to 1744496110
 62: 
 62: Generated 330891 of the 330891 non-bonded parameter combinations
 62: 
@@ -53369,7 +53402,7 @@
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_ExtendRuntimeExtensionTest_extended.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_ExtendRuntimeExtensionTest_extended.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_ExtendRuntimeExtensionTest_extended_again.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-62: Setting the LD random seed to -3589
+62: Setting the LD random seed to -151011361
 62: 
 62: Generated 330891 of the 330891 non-bonded parameter combinations
 62: 
@@ -53454,7 +53487,7 @@
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_UntilRuntimeExtensionTest_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_UntilRuntimeExtensionTest_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_UntilRuntimeExtensionTest_extended.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-62: Setting the LD random seed to -953156610
+62: Setting the LD random seed to -370955297
 62: 
 62: Generated 330891 of the 330891 non-bonded parameter combinations
 62: 
@@ -53522,7 +53555,7 @@
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_nstepRuntimeExtensionTest_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 62: Setting nsteps to 102
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_nstepRuntimeExtensionTest_extended.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-62: Setting the LD random seed to 1543502845
+62: Setting the LD random seed to -1677789769
 62: 
 62: Generated 330891 of the 330891 non-bonded parameter combinations
 62: 
@@ -53553,7 +53586,7 @@
 62:   Run end step                                     102     
 62:   Run end time                                   0.102 ps  
 62: 
-62: [       OK ] ConvertTprTest.nstepRuntimeExtensionTest (149 ms)
+62: [       OK ] ConvertTprTest.nstepRuntimeExtensionTest (150 ms)
 62: [ RUN      ] ConvertTprTest.generateVelocitiesTest
 62: 
 62: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_generateVelocitiesTest_lysozyme.mdp]:
@@ -53588,7 +53621,7 @@
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_generateVelocitiesTest_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_generateVelocitiesTest_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_generateVelocitiesTest_new_velocities.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-62: Setting the LD random seed to -1502086641
+62: Setting the LD random seed to 2146942887
 62: 
 62: Generated 330891 of the 330891 non-bonded parameter combinations
 62: 
@@ -53602,8 +53635,8 @@
 62: Analysing Protein...
 62: 
 62: This run will generate roughly 0 Mb of data
-62: [       OK ] ConvertTprTest.generateVelocitiesTest (148 ms)
-62: [----------] 4 tests from ConvertTprTest (596 ms total)
+62: [       OK ] ConvertTprTest.generateVelocitiesTest (149 ms)
+62: [----------] 4 tests from ConvertTprTest (598 ms total)
 62: 
 62: [----------] 1 test from ConvertTprNoVelocityTest
 62: [ RUN      ] ConvertTprNoVelocityTest.refuseToGenerateVelocitiesWhenTprDidNotHaveVelocitiesInitiallyTest
@@ -53641,7 +53674,7 @@
 62: 
 62: There were 4 NOTEs
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary/ConvertTprNoVelocityTest_refuseToGenerateVelocitiesWhenTprDidNotHaveVelocitiesInitiallyTest_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-62: Setting the LD random seed to -4588869
+62: Setting the LD random seed to -19027109
 62: 
 62: Generated 330891 of the 330891 non-bonded parameter combinations
 62: 
@@ -54211,7 +54244,7 @@
 62: [----------] 30 tests from Works/TrjconvDumpTest (9 ms total)
 62: 
 62: [----------] Global test environment tear-down
-62: [==========] 63 tests from 8 test suites ran. (1109 ms total)
+62: [==========] 63 tests from 8 test suites ran. (1106 ms total)
 62: [  PASSED  ] 63 tests.
 62/92 Test #62: ToolUnitTests .............................   Passed    1.13 sec
 test 63
@@ -54274,7 +54307,7 @@
 63: Reduced ilist     LJ14 from    399 to    107 entries
 63: Reduced block    excls from    156 to     75 index-,   1828 to    635 a-entries
 63: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_selectIndexTest_extended.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-63: Setting the LD random seed to -67109700
+63: Setting the LD random seed to -1195648026
 63: 
 63: Generated 330891 of the 330891 non-bonded parameter combinations
 63: 
@@ -54289,8 +54322,8 @@
 63: 
 63: This run will generate roughly 0 Mb of data
 63: Selected 2: 'Protein-H'
-63: [       OK ] ConvertTprTest.selectIndexTest (198 ms)
-63: [----------] 1 test from ConvertTprTest (198 ms total)
+63: [       OK ] ConvertTprTest.selectIndexTest (183 ms)
+63: [----------] 1 test from ConvertTprTest (183 ms total)
 63: 
 63: [----------] 1 test from ConvertTprNoVelocityTest
 63: [ RUN      ] ConvertTprNoVelocityTest.selectIndexTestWithoutVelocity
@@ -54347,7 +54380,7 @@
 63: Reduced ilist     LJ14 from    399 to    107 entries
 63: Reduced block    excls from    156 to     75 index-,   1828 to    635 a-entries
 63: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/tools/tests/Testing/Temporary/ConvertTprNoVelocityTest_selectIndexTestWithoutVelocity_extended.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-63: Setting the LD random seed to -277938706
+63: Setting the LD random seed to -572522580
 63: 
 63: Generated 330891 of the 330891 non-bonded parameter combinations
 63: 
@@ -54360,13 +54393,13 @@
 63: 
 63: This run will generate roughly 0 Mb of data
 63: Selected 2: 'Protein-H'
-63: [       OK ] ConvertTprNoVelocityTest.selectIndexTestWithoutVelocity (146 ms)
-63: [----------] 1 test from ConvertTprNoVelocityTest (146 ms total)
+63: [       OK ] ConvertTprNoVelocityTest.selectIndexTestWithoutVelocity (141 ms)
+63: [----------] 1 test from ConvertTprNoVelocityTest (141 ms total)
 63: 
 63: [----------] Global test environment tear-down
-63: [==========] 2 tests from 2 test suites ran. (345 ms total)
+63: [==========] 2 tests from 2 test suites ran. (325 ms total)
 63: [  PASSED  ] 2 tests.
-63/92 Test #63: ToolWithLeaksUnitTests ....................   Passed    0.36 sec
+63/92 Test #63: ToolWithLeaksUnitTests ....................   Passed    0.35 sec
 test 64
       Start 64: FileIOTests
 
@@ -54418,7 +54451,7 @@
 64: [       OK ] ColorMapTest.RoundTrip (0 ms)
 64: [ RUN      ] ColorMapTest.SearchWorks
 64: [       OK ] ColorMapTest.SearchWorks (0 ms)
-64: [----------] 4 tests from ColorMapTest (0 ms total)
+64: [----------] 4 tests from ColorMapTest (1 ms total)
 64: 
 64: [----------] 4 tests from MatioTest
 64: [ RUN      ] MatioTest.CanWriteToFile
@@ -54430,7 +54463,7 @@
 64: Converted a 4x3 matrix with 4 levels to reals
 64: [       OK ] MatioTest.CanConvertToNewRealMatrix (0 ms)
 64: [ RUN      ] MatioTest.CanReadSingleMatrixAfterWriting
-64:  33% 66%100% 33% 66%100%[       OK ] MatioTest.CanReadSingleMatrixAfterWriting (5 ms)
+64:  33% 66%100% 33% 66%100%[       OK ] MatioTest.CanReadSingleMatrixAfterWriting (4 ms)
 64: [----------] 4 tests from MatioTest (5 ms total)
 64: 
 64: [----------] 3 tests from MrcSerializer
@@ -54451,7 +54484,7 @@
 64: [       OK ] MrcDensityMap.ReadsCoordinateTransformationFromFile (0 ms)
 64: [ RUN      ] MrcDensityMap.ReadsDensityDataFromFile
 64: [       OK ] MrcDensityMap.ReadsDensityDataFromFile (1 ms)
-64: [----------] 4 tests from MrcDensityMap (2 ms total)
+64: [----------] 4 tests from MrcDensityMap (1 ms total)
 64: 
 64: [----------] 8 tests from MrcDensityMapHeaderTest
 64: [ RUN      ] MrcDensityMapHeaderTest.DataSizeIsZeroForDefaultHeader
@@ -55298,10 +55331,10 @@
 64: [       OK ] XvgReadTimeSeries/XvgioTest.readXvgTimeSeriesWorks/2 (0 ms)
 64: [ RUN      ] XvgReadTimeSeries/XvgioTest.readXvgTimeSeriesWorks/3
 64: [       OK ] XvgReadTimeSeries/XvgioTest.readXvgTimeSeriesWorks/3 (0 ms)
-64: [----------] 4 tests from XvgReadTimeSeries/XvgioTest (1 ms total)
+64: [----------] 4 tests from XvgReadTimeSeries/XvgioTest (0 ms total)
 64: 
 64: [----------] Global test environment tear-down
-64: [==========] 421 tests from 17 test suites ran. (18 ms total)
+64: [==========] 421 tests from 17 test suites ran. (17 ms total)
 64: [  PASSED  ] 421 tests.
 64/92 Test #64: FileIOTests ...............................   Passed    0.05 sec
 test 65
@@ -55372,8 +55405,8 @@
 65: [ RUN      ] IndexMapTest.MapsResidueBlocksWithMask
 65: [       OK ] IndexMapTest.MapsResidueBlocksWithMask (0 ms)
 65: [ RUN      ] IndexMapTest.HandlesMultipleRequests
-65: [       OK ] IndexMapTest.HandlesMultipleRequests (1 ms)
-65: [----------] 11 tests from IndexMapTest (4 ms total)
+65: [       OK ] IndexMapTest.HandlesMultipleRequests (0 ms)
+65: [----------] 11 tests from IndexMapTest (3 ms total)
 65: 
 65: [----------] 3 tests from IndexGroupsAndNamesTest
 65: [ RUN      ] IndexGroupsAndNamesTest.containsNames
@@ -55386,23 +55419,23 @@
 65: 
 65: [----------] 15 tests from NeighborhoodSearchTest
 65: [ RUN      ] NeighborhoodSearchTest.SimpleSearch
-65: [       OK ] NeighborhoodSearchTest.SimpleSearch (24 ms)
+65: [       OK ] NeighborhoodSearchTest.SimpleSearch (20 ms)
 65: [ RUN      ] NeighborhoodSearchTest.SimpleSearchXY
-65: [       OK ] NeighborhoodSearchTest.SimpleSearchXY (20 ms)
+65: [       OK ] NeighborhoodSearchTest.SimpleSearchXY (15 ms)
 65: [ RUN      ] NeighborhoodSearchTest.GridSearchBox
 65: [       OK ] NeighborhoodSearchTest.GridSearchBox (2 ms)
 65: [ RUN      ] NeighborhoodSearchTest.GridSearchTriclinic
-65: [       OK ] NeighborhoodSearchTest.GridSearchTriclinic (8 ms)
+65: [       OK ] NeighborhoodSearchTest.GridSearchTriclinic (6 ms)
 65: [ RUN      ] NeighborhoodSearchTest.GridSearch2DPBC
 65: [       OK ] NeighborhoodSearchTest.GridSearch2DPBC (3 ms)
 65: [ RUN      ] NeighborhoodSearchTest.GridSearchNoPBC
 65: [       OK ] NeighborhoodSearchTest.GridSearchNoPBC (1 ms)
 65: [ RUN      ] NeighborhoodSearchTest.GridSearchXYBox
-65: [       OK ] NeighborhoodSearchTest.GridSearchXYBox (2 ms)
+65: [       OK ] NeighborhoodSearchTest.GridSearchXYBox (1 ms)
 65: [ RUN      ] NeighborhoodSearchTest.SimpleSelfPairsSearch
 65: [       OK ] NeighborhoodSearchTest.SimpleSelfPairsSearch (0 ms)
 65: [ RUN      ] NeighborhoodSearchTest.GridSelfPairsSearch
-65: [       OK ] NeighborhoodSearchTest.GridSelfPairsSearch (29 ms)
+65: [       OK ] NeighborhoodSearchTest.GridSelfPairsSearch (26 ms)
 65: [ RUN      ] NeighborhoodSearchTest.HandlesConcurrentSearches
 65: [       OK ] NeighborhoodSearchTest.HandlesConcurrentSearches (0 ms)
 65: [ RUN      ] NeighborhoodSearchTest.HandlesNoPBC
@@ -55415,7 +55448,7 @@
 65: [       OK ] NeighborhoodSearchTest.SimpleSearchExclusions (2 ms)
 65: [ RUN      ] NeighborhoodSearchTest.GridSearchExclusions
 65: [       OK ] NeighborhoodSearchTest.GridSearchExclusions (0 ms)
-65: [----------] 15 tests from NeighborhoodSearchTest (96 ms total)
+65: [----------] 15 tests from NeighborhoodSearchTest (80 ms total)
 65: 
 65: [----------] 13 tests from PositionCalculationTest
 65: [ RUN      ] PositionCalculationTest.ComputesAtomPositions
@@ -55444,7 +55477,7 @@
 65: [       OK ] PositionCalculationTest.HandlesIdenticalStaticCalculations (0 ms)
 65: [ RUN      ] PositionCalculationTest.HandlesOverlappingStaticCalculations
 65: [       OK ] PositionCalculationTest.HandlesOverlappingStaticCalculations (0 ms)
-65: [----------] 13 tests from PositionCalculationTest (2 ms total)
+65: [----------] 13 tests from PositionCalculationTest (1 ms total)
 65: 
 65: [----------] 33 tests from SelectionCollectionTest
 65: [ RUN      ] SelectionCollectionTest.HandlesNoSelections
@@ -55600,7 +55633,7 @@
 65: [ RUN      ] SelectionCollectionDataTest.HandlesPlusModifier
 65: [       OK ] SelectionCollectionDataTest.HandlesPlusModifier (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.HandlesMergeModifier
-65: [       OK ] SelectionCollectionDataTest.HandlesMergeModifier (1 ms)
+65: [       OK ] SelectionCollectionDataTest.HandlesMergeModifier (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.ComputesMassesAndCharges
 65: [       OK ] SelectionCollectionDataTest.ComputesMassesAndCharges (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.ComputesMassesAndChargesWithoutTopology
@@ -55682,12 +55715,12 @@
 65: [ RUN      ] SelectionCollectionDataTest.CopiedSelectionWorksPreCompilation
 65: [       OK ] SelectionCollectionDataTest.CopiedSelectionWorksPreCompilation (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.CopiedSelectionWorksPostCompilation
-65: [       OK ] SelectionCollectionDataTest.CopiedSelectionWorksPostCompilation (1 ms)
+65: [       OK ] SelectionCollectionDataTest.CopiedSelectionWorksPostCompilation (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.CopiedSelectionsAreIndependent
 65: [       OK ] SelectionCollectionDataTest.CopiedSelectionsAreIndependent (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.CopiedSelectionWithIndexPostCompilation
 65: [       OK ] SelectionCollectionDataTest.CopiedSelectionWithIndexPostCompilation (0 ms)
-65: [----------] 70 tests from SelectionCollectionDataTest (35 ms total)
+65: [----------] 70 tests from SelectionCollectionDataTest (30 ms total)
 65: 
 65: [----------] 17 tests from SelectionOptionTest
 65: [ RUN      ] SelectionOptionTest.ParsesSimpleSelection
@@ -55724,7 +55757,7 @@
 65: [       OK ] SelectionOptionTest.HandlesDelayedOptionalSelection (0 ms)
 65: [ RUN      ] SelectionOptionTest.HandlesDelayedSelectionWithAdjuster
 65: [       OK ] SelectionOptionTest.HandlesDelayedSelectionWithAdjuster (0 ms)
-65: [----------] 17 tests from SelectionOptionTest (3 ms total)
+65: [----------] 17 tests from SelectionOptionTest (2 ms total)
 65: 
 65: [----------] 9 tests from SelectionFileOptionTest
 65: [ RUN      ] SelectionFileOptionTest.HandlesSingleSelectionOptionFromFile
@@ -55748,9 +55781,9 @@
 65: [----------] 9 tests from SelectionFileOptionTest (1 ms total)
 65: 
 65: [----------] Global test environment tear-down
-65: [==========] 201 tests from 11 test suites ran. (157 ms total)
+65: [==========] 201 tests from 11 test suites ran. (133 ms total)
 65: [  PASSED  ] 201 tests.
-65/92 Test #65: SelectionUnitTests ........................   Passed    0.18 sec
+65/92 Test #65: SelectionUnitTests ........................   Passed    0.16 sec
 test 66
       Start 66: MdrunOutputTests
 
@@ -55761,8 +55794,8 @@
 66: [----------] Global test environment set-up.
 66: [----------] 1 test from MdrunTest
 66: [ RUN      ] MdrunTest.WritesHelp
-66: [       OK ] MdrunTest.WritesHelp (8 ms)
-66: [----------] 1 test from MdrunTest (8 ms total)
+66: [       OK ] MdrunTest.WritesHelp (16 ms)
+66: [----------] 1 test from MdrunTest (16 ms total)
 66: 
 66: [----------] 3 tests from WithDifferentOutputGroupSettings/MdrunCompressedXOutput
 66: [ RUN      ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/0
@@ -55794,7 +55827,7 @@
 66:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 66: starting mdrun 'spc2'
 66: 1 steps,      0.0 ps.
-66: Setting the LD random seed to -273157761
+66: Setting the LD random seed to 1409019231
 66: 
 66: Generated 3 of the 3 non-bonded parameter combinations
 66: 
@@ -55817,9 +55850,9 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.003        0.001      196.0
+66:        Time:        0.004        0.002      196.1
 66:                  (ns/day)    (hour/ns)
-66: Performance:      116.411        0.206
+66: Performance:       79.584        0.302
 66: 
Reading frame       0 time    0.000   
 66: # Atoms  6
 66: 
Reading frame       1 time    0.001   
Last frame          1 time    0.001   
@@ -55834,7 +55867,7 @@
 66: Forces           0
 66: Box              2    0.001
 66: Checking file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_0.xtc
-66: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/0 (6 ms)
+66: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/0 (9 ms)
 66: [ RUN      ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/1
 66: Generating 1-4 interactions: fudge = 0.5
 66: Number of degrees of freedom in T-Coupling group rest is 9.00
@@ -55864,7 +55897,7 @@
 66:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 66: starting mdrun 'spc2'
 66: 1 steps,      0.0 ps.
-66: Setting the LD random seed to -273924737
+66: Setting the LD random seed to -1367360001
 66: 
 66: Generated 3 of the 3 non-bonded parameter combinations
 66: 
@@ -55887,9 +55920,9 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.001        0.000      187.7
+66:        Time:        0.001        0.001      187.2
 66:                  (ns/day)    (hour/ns)
-66: Performance:      402.653        0.060
+66: Performance:      306.330        0.078
 66: 
Reading frame       0 time    0.000   
 66: # Atoms  6
 66: 
Reading frame       1 time    0.001   
Last frame          1 time    0.001   
@@ -55904,7 +55937,7 @@
 66: Forces           0
 66: Box              2    0.001
 66: Checking file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_1.xtc
-66: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/1 (4 ms)
+66: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/1 (6 ms)
 66: [ RUN      ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/2
 66: Generating 1-4 interactions: fudge = 0.5
 66: Number of degrees of freedom in T-Coupling group rest is 9.00
@@ -55934,7 +55967,7 @@
 66:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 66: starting mdrun 'spc2'
 66: 1 steps,      0.0 ps.
-66: Setting the LD random seed to -572629661
+66: Setting the LD random seed to -671481985
 66: 
 66: Generated 3 of the 3 non-bonded parameter combinations
 66: 
@@ -55957,9 +55990,9 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.001        0.000      187.5
+66:        Time:        0.001        0.001      186.9
 66:                  (ns/day)    (hour/ns)
-66: Performance:      403.325        0.060
+66: Performance:      314.300        0.076
 66: 
Reading frame       0 time    0.000   
 66: # Atoms  3
 66: 
Reading frame       1 time    0.001   
Last frame          1 time    0.001   
@@ -55974,8 +56007,8 @@
 66: Forces           0
 66: Box              2    0.001
 66: Checking file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_2.xtc
-66: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/2 (4 ms)
-66: [----------] 3 tests from WithDifferentOutputGroupSettings/MdrunCompressedXOutput (15 ms total)
+66: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/2 (5 ms)
+66: [----------] 3 tests from WithDifferentOutputGroupSettings/MdrunCompressedXOutput (22 ms total)
 66: 
 66: [----------] 2 tests from Argon12/OutputFiles
 66: [ RUN      ] Argon12/OutputFiles.FilesArePresent/0
@@ -56028,10 +56061,10 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.001        0.001      192.7
+66:        Time:        0.002        0.001      191.8
 66:                  (ns/day)    (hour/ns)
-66: Performance:     2011.951        0.012
-66: [       OK ] Argon12/OutputFiles.FilesArePresent/0 (4 ms)
+66: Performance:     1850.584        0.013
+66: [       OK ] Argon12/OutputFiles.FilesArePresent/0 (5 ms)
 66: [ RUN      ] Argon12/OutputFiles.FilesArePresent/1
 66: 
 66: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_1_input.mdp]:
@@ -56082,11 +56115,11 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.002        0.001      195.7
+66:        Time:        0.002        0.001      195.3
 66:                  (ns/day)    (hour/ns)
-66: Performance:     1626.774        0.015
+66: Performance:     1477.361        0.016
 66: [       OK ] Argon12/OutputFiles.FilesArePresent/1 (5 ms)
-66: [----------] 2 tests from Argon12/OutputFiles (9 ms total)
+66: [----------] 2 tests from Argon12/OutputFiles (11 ms total)
 66: 
 66: [----------] 3 tests from MdrunCanWrite/Trajectories
 66: [ RUN      ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/0
@@ -56112,7 +56145,7 @@
 66:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 66: starting mdrun 'spc-and-methanol'
 66: 6 steps,      0.0 ps.
-66: Setting the LD random seed to 188415998
+66: Setting the LD random seed to -1342351457
 66: 
 66: Generated 8 of the 10 non-bonded parameter combinations
 66: 
@@ -56135,10 +56168,10 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.005        0.003      197.2
+66:        Time:        0.006        0.003      197.1
 66:                  (ns/day)    (hour/ns)
-66: Performance:      226.472        0.106
-66: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/0 (7 ms)
+66: Performance:      212.526        0.113
+66: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/0 (8 ms)
 66: [ RUN      ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/1
 66: Number of degrees of freedom in T-Coupling group System is 12.00
 66: 
@@ -56162,7 +56195,7 @@
 66:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 66: starting mdrun 'spc-and-methanol'
 66: 6 steps,      0.0 ps.
-66: Setting the LD random seed to -1114434
+66: Setting the LD random seed to -1124600266
 66: 
 66: Generated 8 of the 10 non-bonded parameter combinations
 66: 
@@ -56185,10 +56218,10 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.004        0.002      190.0
+66:        Time:        0.005        0.002      196.7
 66:                  (ns/day)    (hour/ns)
-66: Performance:      287.446        0.083
-66: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/1 (6 ms)
+66: Performance:      248.211        0.097
+66: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/1 (7 ms)
 66: [ RUN      ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/2
 66: Number of degrees of freedom in T-Coupling group System is 12.00
 66: 
@@ -56212,7 +56245,7 @@
 66:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 66: starting mdrun 'spc-and-methanol'
 66: 6 steps,      0.0 ps.
-66: Setting the LD random seed to 1877703541
+66: Setting the LD random seed to 1610338541
 66: 
 66: Generated 8 of the 10 non-bonded parameter combinations
 66: 
@@ -56235,11 +56268,11 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.003        0.001      195.0
+66:        Time:        0.003        0.001      194.9
 66:                  (ns/day)    (hour/ns)
-66: Performance:      455.425        0.053
-66: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/2 (5 ms)
-66: [----------] 3 tests from MdrunCanWrite/Trajectories (20 ms total)
+66: Performance:      441.859        0.054
+66: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/2 (6 ms)
+66: [----------] 3 tests from MdrunCanWrite/Trajectories (22 ms total)
 66: 
 66: [----------] 3 tests from MdrunCanWrite/NptTrajectories
 66: [ RUN      ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/0
@@ -56265,7 +56298,7 @@
 66:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 66: starting mdrun 'spc-and-methanol'
 66: 2 steps,      0.0 ps.
-66: Setting the LD random seed to -117450881
+66: Setting the LD random seed to -46408595
 66: 
 66: Generated 8 of the 10 non-bonded parameter combinations
 66: 
@@ -56288,9 +56321,9 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.001        0.001      190.9
+66:        Time:        0.001        0.001      190.8
 66:                  (ns/day)    (hour/ns)
-66: Performance:      367.658        0.065
+66: Performance:      379.729        0.063
 66: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/0 (5 ms)
 66: [ RUN      ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/1
 66: 
@@ -56323,7 +56356,7 @@
 66:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 66: starting mdrun 'spc-and-methanol'
 66: 2 steps,      0.0 ps.
-66: Setting the LD random seed to 1866299391
+66: Setting the LD random seed to -1866499217
 66: 
 66: Generated 8 of the 10 non-bonded parameter combinations
 66: 
@@ -56346,9 +56379,9 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.001        0.001      191.0
+66:        Time:        0.001        0.001      190.0
 66:                  (ns/day)    (hour/ns)
-66: Performance:      388.134        0.062
+66: Performance:      369.281        0.065
 66: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/1 (5 ms)
 66: [ RUN      ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/2
 66: Number of degrees of freedom in T-Coupling group System is 12.00
@@ -56373,7 +56406,7 @@
 66:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 66: starting mdrun 'spc-and-methanol'
 66: 2 steps,      0.0 ps.
-66: Setting the LD random seed to -25174025
+66: Setting the LD random seed to -134218113
 66: 
 66: Generated 8 of the 10 non-bonded parameter combinations
 66: 
@@ -56396,16 +56429,16 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.001        0.001      190.5
+66:        Time:        0.001        0.001      189.9
 66:                  (ns/day)    (hour/ns)
-66: Performance:      402.206        0.060
+66: Performance:      390.785        0.061
 66: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/2 (5 ms)
 66: [----------] 3 tests from MdrunCanWrite/NptTrajectories (16 ms total)
 66: 
 66: [----------] Global test environment tear-down
-66: [==========] 12 tests from 5 test suites ran. (95 ms total)
+66: [==========] 12 tests from 5 test suites ran. (123 ms total)
 66: [  PASSED  ] 12 tests.
-66/92 Test #66: MdrunOutputTests ..........................   Passed    0.11 sec
+66/92 Test #66: MdrunOutputTests ..........................   Passed    0.15 sec
 test 67
       Start 67: MdrunModulesTests
 
@@ -56442,14 +56475,14 @@
 67: Maximum force     =  4.5099883e+03 on atom 3
 67: Norm of force     =  1.6816849e+03
 67: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectInnerProduct.edr as single precision energy file
-67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to 1848554451
+67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to -432702505
 67: 
 67: Generated 1 of the 1 non-bonded parameter combinations
 67: 
 67: Excluding 1 bonded neighbours molecule type 'Argon'
 67: 
 67: This run will generate roughly 0 Mb of data
-67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProduct (5 ms)
+67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProduct (4 ms)
 67: [ RUN      ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductTranslation
 67: Number of degrees of freedom in T-Coupling group rest is 33.00
 67: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
@@ -56477,14 +56510,14 @@
 67: Maximum force     =  7.3954834e+03 on atom 2
 67: Norm of force     =  2.7825089e+03
 67: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectInnerProductTranslation.edr as single precision energy file
-67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to -536905870
+67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to -404931074
 67: 
 67: Generated 1 of the 1 non-bonded parameter combinations
 67: 
 67: Excluding 1 bonded neighbours molecule type 'Argon'
 67: 
 67: This run will generate roughly 0 Mb of data
-67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductTranslation (3 ms)
+67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductTranslation (4 ms)
 67: [ RUN      ] DensityFittingTest.EnergyMinimizationEnergyTranslationParametersOff
 67: 
 67: [WARNING] ./src/external/googletest/googletest/src/gtest-death-test.cc:1108:: Death tests use fork(), which is unsafe particularly in a threaded context. For this test, Google Test detected 2 threads. See https://github.com/google/googletest/blob/main/docs/advanced.md#death-tests-and-threads for more explanation and suggested solutions, especially if this is the last message you see before your test times out.
@@ -56518,18 +56551,18 @@
 67: Maximum force     =  6.1322017e+03 on atom 2
 67: Norm of force     =  1.7702150e+03
 67: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectInnerProductTranslationAndTransformationMatrix.edr as single precision energy file
-67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         Setting the LD random seed to -268455979
+67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         Setting the LD random seed to -793781765
 67: 
 67: Generated 1 of the 1 non-bonded parameter combinations
 67: 
 67: Excluding 1 bonded neighbours molecule type 'Argon'
 67: 
 67: This run will generate roughly 0 Mb of data
-67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductTranslationAndTransformationMatrix (4 ms)
+67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductTranslationAndTransformationMatrix (5 ms)
 67: [ RUN      ] DensityFittingTest.EnergyMinimizationEnergyMatrixTransfromationOff
 67: 
 67: [WARNING] ./src/external/googletest/googletest/src/gtest-death-test.cc:1108:: Death tests use fork(), which is unsafe particularly in a threaded context. For this test, Google Test detected 2 threads. See https://github.com/google/googletest/blob/main/docs/advanced.md#death-tests-and-threads for more explanation and suggested solutions, especially if this is the last message you see before your test times out.
-67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyMatrixTransfromationOff (8 ms)
+67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyMatrixTransfromationOff (9 ms)
 67: [ RUN      ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductIdentityMatrix
 67: Number of degrees of freedom in T-Coupling group rest is 33.00
 67: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
@@ -56557,7 +56590,7 @@
 67: Maximum force     =  4.5099883e+03 on atom 3
 67: Norm of force     =  1.6816849e+03
 67: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectInnerProductIdentityMatrix.edr as single precision energy file
-67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to -37937699
+67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to -419561475
 67: 
 67: Generated 1 of the 1 non-bonded parameter combinations
 67: 
@@ -56592,7 +56625,7 @@
 67: Maximum force     =  6.7827656e+03 on atom 2
 67: Norm of force     =  1.9608866e+03
 67: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectForRelativeEntropy.edr as single precision energy file
-67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to -675283094
+67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to -62915993
 67: 
 67: Generated 1 of the 1 non-bonded parameter combinations
 67: 
@@ -56603,14 +56636,14 @@
 67: [ RUN      ] DensityFittingTest.GromppErrorWhenEnergyEvaluationFrequencyMismatch
 67: 
 67: [WARNING] ./src/external/googletest/googletest/src/gtest-death-test.cc:1108:: Death tests use fork(), which is unsafe particularly in a threaded context. For this test, Google Test detected 2 threads. See https://github.com/google/googletest/blob/main/docs/advanced.md#death-tests-and-threads for more explanation and suggested solutions, especially if this is the last message you see before your test times out.
-67: Setting the LD random seed to -271622181
+67: Setting the LD random seed to -122177794
 67: 
 67: Generated 1 of the 1 non-bonded parameter combinations
 67: 
 67: Excluding 1 bonded neighbours molecule type 'Argon'
 67: 
 67: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-67: [       OK ] DensityFittingTest.GromppErrorWhenEnergyEvaluationFrequencyMismatch (9 ms)
+67: [       OK ] DensityFittingTest.GromppErrorWhenEnergyEvaluationFrequencyMismatch (7 ms)
 67: [ RUN      ] DensityFittingTest.CheckpointWorks
 67: 
 67: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks_input.mdp]:
@@ -56637,7 +56670,7 @@
 67:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 67: starting mdrun 'Argon'
 67: 2 steps,      0.0 ps.
-67: Setting the LD random seed to -270009122
+67: Setting the LD random seed to 2067453870
 67: 
 67: Generated 1 of the 1 non-bonded parameter combinations
 67: 
@@ -56658,9 +56691,9 @@
 67: Writing final coordinates.
 67: 
 67:                Core t (s)   Wall t (s)        (%)
-67:        Time:        0.003        0.002      195.8
+67:        Time:        0.003        0.002      195.2
 67:                  (ns/day)    (hour/ns)
-67: Performance:      169.843        0.141
+67: Performance:      165.449        0.145
 67: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 67: Overriding nsteps with value passed on the command line: 4 steps, 0.004 ps
 67: Can not increase nstlist because an NVE ensemble is used
@@ -56679,12 +56712,12 @@
 67: Writing final coordinates.
 67: 
 67:                Core t (s)   Wall t (s)        (%)
-67:        Time:        0.001        0.001      190.2
+67:        Time:        0.001        0.001      189.8
 67:                  (ns/day)    (hour/ns)
-67: Performance:      779.664        0.031
+67: Performance:      697.168        0.034
 67: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks.edr as single precision energy file
 67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.002         
Last energy frame read 1 time    0.002         [       OK ] DensityFittingTest.CheckpointWorks (8 ms)
-67: [----------] 9 tests from DensityFittingTest (58 ms total)
+67: [----------] 9 tests from DensityFittingTest (56 ms total)
 67: 
 67: [----------] 4 tests from MimicTest
 67: [ RUN      ] MimicTest.OneQuantumMol
@@ -56724,15 +56757,15 @@
 67: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 67: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 67: 
-67: NOTE: 20 % of the run time was spent in pair search,
+67: NOTE: 24 % of the run time was spent in pair search,
 67:       you might want to increase nstlist (this has no effect on accuracy)
 67: 
 67:                Core t (s)   Wall t (s)        (%)
-67:        Time:        0.000        0.000      183.2
+67:        Time:        0.000        0.000      184.9
 67:                  (ns/day)    (hour/ns)
-67: Performance:      506.128        0.047
+67: Performance:      462.820        0.052
 67: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol.edr as single precision energy file
-67: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to 397399007
+67: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -136898754
 67: 
 67: Generated 10 of the 10 non-bonded parameter combinations
 67: 
@@ -56781,15 +56814,15 @@
 67: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 67: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 67: 
-67: NOTE: 21 % of the run time was spent in pair search,
+67: NOTE: 14 % of the run time was spent in pair search,
 67:       you might want to increase nstlist (this has no effect on accuracy)
 67: 
 67:                Core t (s)   Wall t (s)        (%)
-67:        Time:        0.000        0.000      183.4
+67:        Time:        0.001        0.000      190.1
 67:                  (ns/day)    (hour/ns)
-67: Performance:      537.667        0.045
+67: Performance:      272.882        0.088
 67: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol.edr as single precision energy file
-67: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to 2061480783
+67: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -545491468
 67: 
 67: Generated 10 of the 10 non-bonded parameter combinations
 67: 
@@ -56838,15 +56871,15 @@
 67: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 67: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 67: 
-67: NOTE: 22 % of the run time was spent in pair search,
+67: NOTE: 39 % of the run time was spent in pair search,
 67:       you might want to increase nstlist (this has no effect on accuracy)
 67: 
 67:                Core t (s)   Wall t (s)        (%)
-67:        Time:        0.000        0.000      185.1
+67:        Time:        0.000        0.000      187.8
 67:                  (ns/day)    (hour/ns)
-67: Performance:      529.033        0.045
+67: Performance:      346.451        0.069
 67: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol.edr as single precision energy file
-67: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -215073
+67: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -1145856001
 67: 
 67: Generated 10 of the 10 non-bonded parameter combinations
 67: 
@@ -56895,15 +56928,15 @@
 67: Reading frames from gro file 'Alanine dipeptide in water', 23 atoms.
 67: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 67: 
-67: NOTE: 19 % of the run time was spent in pair search,
+67: NOTE: 27 % of the run time was spent in pair search,
 67:       you might want to increase nstlist (this has no effect on accuracy)
 67: 
 67:                Core t (s)   Wall t (s)        (%)
-67:        Time:        0.001        0.000      190.5
+67:        Time:        0.001        0.000      190.1
 67:                  (ns/day)    (hour/ns)
-67: Performance:      292.957        0.082
+67: Performance:      286.020        0.084
 67: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts.edr as single precision energy file
-67: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -6135809
+67: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to 2140060670
 67: 
 67: Generated 2211 of the 2211 non-bonded parameter combinations
 67: 
@@ -56961,11 +56994,11 @@
 67: IMD: Pulling from IMD remote is enabled (-imdpull).
 67: IMD: Setting port for connection requests to 0.
 67: IMD: Setting up incoming socket.
-67: IMD: Listening for IMD connection on port 55143.
+67: IMD: Listening for IMD connection on port 33407.
 67: IMD: -imdwait not set, starting simulation.
 67: starting mdrun 'Glycine'
 67: 2 steps,      0.0 ps.
-67: Setting the LD random seed to -141328899
+67: Setting the LD random seed to -1149894762
 67: 
 67: Generated 20503 of the 20503 non-bonded parameter combinations
 67: 
@@ -56987,14 +57020,11 @@
 67: 
 67: Writing final coordinates.
 67: 
-67: NOTE: 12 % of the run time was spent in pair search,
-67:       you might want to increase nstlist (this has no effect on accuracy)
-67: 
 67:                Core t (s)   Wall t (s)        (%)
-67:        Time:        0.001        0.001      188.8
+67:        Time:        0.001        0.001      188.7
 67:                  (ns/day)    (hour/ns)
-67: Performance:      891.483        0.027
-67: [       OK ] WithIntegrator/ImdTest.ImdCanRun/0 (56 ms)
+67: Performance:      894.417        0.027
+67: [       OK ] WithIntegrator/ImdTest.ImdCanRun/0 (51 ms)
 67: [ RUN      ] WithIntegrator/ImdTest.ImdCanRun/1
 67: 
 67: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithIntegrator_ImdTest_ImdCanRun_1_input.mdp]:
@@ -57027,7 +57057,7 @@
 67: IMD: Pulling from IMD remote is enabled (-imdpull).
 67: IMD: Setting port for connection requests to 0.
 67: IMD: Setting up incoming socket.
-67: IMD: Listening for IMD connection on port 37895.
+67: IMD: Listening for IMD connection on port 37033.
 67: IMD: -imdwait not set, starting simulation.
 67: 
 67: Steepest Descents:
@@ -57043,7 +57073,7 @@
 67: Potential Energy  =  1.1977061e+03
 67: Maximum force     =  1.7794875e+04 on atom 9
 67: Norm of force     =  7.8732895e+03
-67: Setting the LD random seed to -570638409
+67: Setting the LD random seed to -9015585
 67: 
 67: Generated 20503 of the 20503 non-bonded parameter combinations
 67: 
@@ -57052,13 +57082,13 @@
 67: Excluding 3 bonded neighbours molecule type 'Glycine'
 67: 
 67: This run will generate roughly 0 Mb of data
-67: [       OK ] WithIntegrator/ImdTest.ImdCanRun/1 (51 ms)
-67: [----------] 2 tests from WithIntegrator/ImdTest (107 ms total)
+67: [       OK ] WithIntegrator/ImdTest.ImdCanRun/1 (49 ms)
+67: [----------] 2 tests from WithIntegrator/ImdTest (101 ms total)
 67: 
 67: [----------] Global test environment tear-down
-67: [==========] 15 tests from 3 test suites ran. (210 ms total)
+67: [==========] 15 tests from 3 test suites ran. (203 ms total)
 67: [  PASSED  ] 15 tests.
-67/92 Test #67: MdrunModulesTests .........................   Passed    0.23 sec
+67/92 Test #67: MdrunModulesTests .........................   Passed    0.22 sec
 test 68
       Start 68: MdrunIOTests
 
@@ -57089,7 +57119,7 @@
 68: 
 68: 
 68: There were 3 NOTEs
-68: Setting the LD random seed to -357040673
+68: Setting the LD random seed to 1272938295
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -57108,7 +57138,7 @@
 68: Note that mdrun will redetermine rlist based on the actual pair-list setup
 68: 
 68: This run will generate roughly 0 Mb of data
-68: [       OK ] GromppTest.EmptyMdpFileWorks (2 ms)
+68: [       OK ] GromppTest.EmptyMdpFileWorks (6 ms)
 68: [ RUN      ] GromppTest.SimulatedAnnealingWorks
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/GromppTest_SimulatedAnnealingWorks_input.mdp]:
@@ -57136,7 +57166,7 @@
 68: 
 68: 
 68: There were 3 NOTEs
-68: Setting the LD random seed to -244843818
+68: Setting the LD random seed to -286721
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -57155,7 +57185,7 @@
 68: Note that mdrun will redetermine rlist based on the actual pair-list setup
 68: 
 68: This run will generate roughly 0 Mb of data
-68: [       OK ] GromppTest.SimulatedAnnealingWorks (2 ms)
+68: [       OK ] GromppTest.SimulatedAnnealingWorks (4 ms)
 68: [ RUN      ] GromppTest.SimulatedAnnealingWorksWithMultipleGroups
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/GromppTest_SimulatedAnnealingWorksWithMultipleGroups_input.mdp]:
@@ -57189,7 +57219,7 @@
 68: 
 68: 
 68: There were 3 NOTEs
-68: Setting the LD random seed to 1971044271
+68: Setting the LD random seed to -1621200421
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -57208,9 +57238,9 @@
 68: Note that mdrun will redetermine rlist based on the actual pair-list setup
 68: 
 68: This run will generate roughly 0 Mb of data
-68: [       OK ] GromppTest.SimulatedAnnealingWorksWithMultipleGroups (2 ms)
+68: [       OK ] GromppTest.SimulatedAnnealingWorksWithMultipleGroups (4 ms)
 68: [ RUN      ] GromppTest.DeathTestHandlesNoMaxwarnError
-68: Setting the LD random seed to -36721031
+68: Setting the LD random seed to 1037565814
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -57229,7 +57259,7 @@
 68: Note that mdrun will redetermine rlist based on the actual pair-list setup
 68: 
 68: This run will generate roughly 0 Mb of data
-68: [       OK ] GromppTest.DeathTestHandlesNoMaxwarnError (8 ms)
+68: [       OK ] GromppTest.DeathTestHandlesNoMaxwarnError (10 ms)
 68: [ RUN      ] GromppTest.HandlesMaxwarn
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/GromppTest_HandlesMaxwarn_input.mdp]:
@@ -57253,7 +57283,7 @@
 68: There were 2 NOTEs
 68: 
 68: There was 1 WARNING
-68: Setting the LD random seed to -1648468421
+68: Setting the LD random seed to 2146356951
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -57272,9 +57302,9 @@
 68: Note that mdrun will redetermine rlist based on the actual pair-list setup
 68: 
 68: This run will generate roughly 0 Mb of data
-68: [       OK ] GromppTest.HandlesMaxwarn (2 ms)
+68: [       OK ] GromppTest.HandlesMaxwarn (6 ms)
 68: [ RUN      ] GromppTest.MaxwarnShouldBePositive
-68: [       OK ] GromppTest.MaxwarnShouldBePositive (0 ms)
+68: [       OK ] GromppTest.MaxwarnShouldBePositive (1 ms)
 68: [ RUN      ] GromppTest.ValidTransformationCoord
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/GromppTest_ValidTransformationCoord_input.mdp]:
@@ -57303,7 +57333,7 @@
 68:        2         3         2       0.613 nm          0.000 nm
 68: 
 68: There were 3 NOTEs
-68: Setting the LD random seed to 1409283501
+68: Setting the LD random seed to -16924675
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -57322,7 +57352,7 @@
 68: Note that mdrun will redetermine rlist based on the actual pair-list setup
 68: 
 68: This run will generate roughly 0 Mb of data
-68: [       OK ] GromppTest.ValidTransformationCoord (2 ms)
+68: [       OK ] GromppTest.ValidTransformationCoord (7 ms)
 68: [ RUN      ] GromppTest.InvalidTransformationCoord
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/GromppTest_InvalidTransformationCoord_input.mdp]:
@@ -57348,7 +57378,7 @@
 68:        1         3         5
 68:        2         3         2       0.613 nm          0.000 nm
 68:        1         3         5
-68:        2         3         2 Setting the LD random seed to -29397273
+68:        2         3         2 Setting the LD random seed to -76325380
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -57365,9 +57395,9 @@
 68: Set rlist, assuming 4x4 atom pair-list, to 1.072 nm, buffer size 0.072 nm
 68: 
 68: Note that mdrun will redetermine rlist based on the actual pair-list setup
-68: [       OK ] GromppTest.InvalidTransformationCoord (2 ms)
+68: [       OK ] GromppTest.InvalidTransformationCoord (7 ms)
 68: [ RUN      ] GromppTest.RejectCRescaleAndAnisotropic
-68: Setting the LD random seed to -268447745
+68: Setting the LD random seed to -1073812802
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -57376,8 +57406,8 @@
 68: Excluding 2 bonded neighbours molecule type 'SOL'
 68: 
 68: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/spc-and-methanol.gro'
-68: [       OK ] GromppTest.RejectCRescaleAndAnisotropic (8 ms)
-68: [----------] 9 tests from GromppTest (33 ms total)
+68: [       OK ] GromppTest.RejectCRescaleAndAnisotropic (7 ms)
+68: [----------] 9 tests from GromppTest (55 ms total)
 68: 
 68: [----------] 6 tests from MdrunTerminationTest
 68: [ RUN      ] MdrunTerminationTest.CheckpointRestartAppendsByDefault
@@ -57404,7 +57434,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc2'
 68: 2 steps,      0.0 ps.
-68: Setting the LD random seed to -1142956065
+68: Setting the LD random seed to -348651794
 68: 
 68: Generated 3 of the 3 non-bonded parameter combinations
 68: 
@@ -57427,9 +57457,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.001      195.6
+68:        Time:        0.004        0.002      195.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      181.861        0.132
+68: Performance:      116.374        0.206
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartAppendsByDefault.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Setting nsteps to 4
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartAppendsByDefault.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -57466,10 +57496,10 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.000      189.2
+68:        Time:        0.001        0.001      188.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      568.600        0.042
-68: [       OK ] MdrunTerminationTest.CheckpointRestartAppendsByDefault (7 ms)
+68: Performance:      342.414        0.070
+68: [       OK ] MdrunTerminationTest.CheckpointRestartAppendsByDefault (15 ms)
 68: [ RUN      ] MdrunTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts
 68: Generating 1-4 interactions: fudge = 0.5
 68: Number of degrees of freedom in T-Coupling group System is 9.00
@@ -57495,8 +57525,8 @@
 68: starting mdrun 'spc2'
 68: 100 steps,      0.1 ps.
 68: 
-68: Step 12: Run time exceeded 0.000 hours, will terminate the run within 200 steps
-68: Setting the LD random seed to -525349
+68: Step 8: Run time exceeded 0.000 hours, will terminate the run within 200 steps
+68: Setting the LD random seed to -269254685
 68: 
 68: Generated 3 of the 3 non-bonded parameter combinations
 68: 
@@ -57518,13 +57548,13 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 42 % of the run time was spent in pair search,
+68: NOTE: 45 % of the run time was spent in pair search,
 68:       you might want to increase nstlist (this has no effect on accuracy)
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.005        0.003      198.0
+68:        Time:        0.008        0.004      197.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:     3207.815        0.007
+68: Performance:     2293.594        0.010
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Setting nsteps to 102
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -57561,10 +57591,10 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.000      188.9
+68:        Time:        0.001        0.001      188.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:      564.467        0.043
-68: [       OK ] MdrunTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts (8 ms)
+68: Performance:      408.094        0.059
+68: [       OK ] MdrunTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts (13 ms)
 68: [ RUN      ] MdrunTerminationTest.CheckpointRestartWithNoAppendWorksAndCannotLaterAppend
 68: Generating 1-4 interactions: fudge = 0.5
 68: Number of degrees of freedom in T-Coupling group System is 9.00
@@ -57589,7 +57619,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc2'
 68: 2 steps,      0.0 ps.
-68: Setting the LD random seed to -539002625
+68: Setting the LD random seed to -276891777
 68: 
 68: Generated 3 of the 3 non-bonded parameter combinations
 68: 
@@ -57612,9 +57642,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.000      188.2
+68:        Time:        0.002        0.001      191.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:      603.644        0.040
+68: Performance:      307.630        0.078
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Setting nsteps to 4
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -57651,9 +57681,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.000      191.9
+68:        Time:        0.001        0.001      193.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      606.338        0.040
+68: Performance:      386.341        0.062
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Setting nsteps to 6
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -57689,13 +57719,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 12 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.000      192.9
+68:        Time:        0.001        0.001      192.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:      577.051        0.042
+68: Performance:      465.196        0.052
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Setting nsteps to 8
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -57732,9 +57759,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.000      192.8
+68:        Time:        0.001        0.000      192.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      593.430        0.040
+68: Performance:      522.173        0.046
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 10 to 50, rlist from 1.032 to 1.21
 68: 
@@ -57749,14 +57776,14 @@
 68: starting mdrun 'spc2'
 68: 8 steps,      0.0 ps (continuing from step 8,      0.0 ps).
 68: 
-68: NOTE: 23 % of the run time was spent in pair search,
+68: NOTE: 26 % of the run time was spent in pair search,
 68:       you might want to increase nstlist (this has no effect on accuracy)
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.000        0.000      175.6
+68:        Time:        0.000        0.000      169.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      658.887        0.036
-68: [       OK ] MdrunTerminationTest.CheckpointRestartWithNoAppendWorksAndCannotLaterAppend (12 ms)
+68: Performance:      698.243        0.034
+68: [       OK ] MdrunTerminationTest.CheckpointRestartWithNoAppendWorksAndCannotLaterAppend (19 ms)
 68: [ RUN      ] MdrunTerminationTest.CheckpointRestartWorksEvenWithMissingCheckpointFile
 68: Generating 1-4 interactions: fudge = 0.5
 68: Number of degrees of freedom in T-Coupling group System is 9.00
@@ -57781,7 +57808,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc2'
 68: 2 steps,      0.0 ps.
-68: Setting the LD random seed to 1005908250
+68: Setting the LD random seed to -33581141
 68: 
 68: Generated 3 of the 3 non-bonded parameter combinations
 68: 
@@ -57804,9 +57831,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.000      188.2
+68:        Time:        0.001        0.000      187.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      622.303        0.039
+68: Performance:      529.549        0.045
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithMissingCheckpointFile.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Setting nsteps to 4
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithMissingCheckpointFile.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -57843,10 +57870,10 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.000      188.9
+68:        Time:        0.001        0.001      188.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:      951.649        0.025
-68: [       OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithMissingCheckpointFile (6 ms)
+68: Performance:      836.923        0.029
+68: [       OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithMissingCheckpointFile (7 ms)
 68: [ RUN      ] MdrunTerminationTest.CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile
 68: Generating 1-4 interactions: fudge = 0.5
 68: Number of degrees of freedom in T-Coupling group System is 9.00
@@ -57871,7 +57898,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc2'
 68: 2 steps,      0.0 ps.
-68: Setting the LD random seed to 2141712383
+68: Setting the LD random seed to -1074790536
 68: 
 68: Generated 3 of the 3 non-bonded parameter combinations
 68: 
@@ -57894,9 +57921,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      191.3
+68:        Time:        0.001        0.001      188.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:      429.200        0.056
+68: Performance:      515.243        0.047
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Setting nsteps to 4
 68: Input file:
@@ -57916,7 +57943,7 @@
 68:   Run end step                                       4     
 68:   Run end time                                   0.004 ps  
 68: 
-68: [       OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile (4 ms)
+68: [       OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile (5 ms)
 68: [ RUN      ] MdrunTerminationTest.RunWithNoAppendCreatesPartFiles
 68: Generating 1-4 interactions: fudge = 0.5
 68: Number of degrees of freedom in T-Coupling group System is 9.00
@@ -57941,7 +57968,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc2'
 68: 2 steps,      0.0 ps.
-68: Setting the LD random seed to 1847554959
+68: Setting the LD random seed to 939425788
 68: 
 68: Generated 3 of the 3 non-bonded parameter combinations
 68: 
@@ -57966,7 +57993,7 @@
 68:                Core t (s)   Wall t (s)        (%)
 68:        Time:        0.001        0.000      187.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:      614.217        0.039
+68: Performance:      533.708        0.045
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_RunWithNoAppendCreatesPartFiles.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Setting nsteps to 4
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_RunWithNoAppendCreatesPartFiles.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -58003,11 +58030,11 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.000      192.3
+68:        Time:        0.001        0.000      191.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:      622.660        0.039
-68: [       OK ] MdrunTerminationTest.RunWithNoAppendCreatesPartFiles (6 ms)
-68: [----------] 6 tests from MdrunTerminationTest (46 ms total)
+68: Performance:      589.568        0.041
+68: [       OK ] MdrunTerminationTest.RunWithNoAppendCreatesPartFiles (7 ms)
+68: [----------] 6 tests from MdrunTerminationTest (69 ms total)
 68: 
 68: [----------] 2 tests from CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks
 68: [ RUN      ] CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks.WithinTolerances/0
@@ -58070,13 +58097,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      192.7
+68:        Time:        0.001        0.001      192.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1838.434        0.013
+68: Performance:     2022.519        0.012
 68: trr version: GMX_trn_file (single precision)
 68: 
 68: 
-68: [       OK ] CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks.WithinTolerances/0 (4 ms)
+68: [       OK ] CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks.WithinTolerances/0 (5 ms)
 68: [ RUN      ] CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks.WithinTolerances/1
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/CheckpointCoordinatesAreSane_CheckpointCoordinatesSanityChecks_WithinTolerances_1_input.mdp]:
@@ -58139,11 +58166,11 @@
 68:                Core t (s)   Wall t (s)        (%)
 68:        Time:        0.002        0.001      195.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1596.422        0.015
+68: Performance:     1533.630        0.016
 68: 
 68: 
-68: [       OK ] CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks.WithinTolerances/1 (4 ms)
-68: [----------] 2 tests from CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks (9 ms total)
+68: [       OK ] CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks.WithinTolerances/1 (5 ms)
+68: [----------] 2 tests from CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks (10 ms total)
 68: 
 68: [----------] 24 tests from NormalIntegrators/MdrunNoAppendContinuationIsExact
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -58229,9 +58256,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.5
+68:        Time:        0.001        0.001      191.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:     2030.519        0.012
+68: Performance:     2131.693        0.011
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -58248,9 +58275,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      190.8
+68:        Time:        0.001        0.001      189.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1409.460        0.017
+68: Performance:     1485.873        0.016
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -58267,13 +58294,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      191.3
+68:        Time:        0.001        0.001      190.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1295.270        0.019
+68: Performance:     1391.421        0.017
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (9 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (10 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -58357,9 +58384,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.3
+68:        Time:        0.001        0.001      191.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:     2084.803        0.012
+68: Performance:     2131.693        0.011
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -58376,9 +58403,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      190.1
+68:        Time:        0.001        0.001      190.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1461.241        0.016
+68: Performance:     1443.138        0.017
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -58395,13 +58422,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      190.9
+68:        Time:        0.001        0.001      191.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1368.075        0.018
+68: Performance:     1319.373        0.018
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (10 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (9 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/2
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]:
@@ -58485,9 +58512,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      196.2
+68:        Time:        0.002        0.001      196.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1593.532        0.015
+68: Performance:     1642.387        0.015
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -58506,7 +58533,7 @@
 68:                Core t (s)   Wall t (s)        (%)
 68:        Time:        0.001        0.001      195.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1033.753        0.023
+68: Performance:     1113.137        0.022
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -58523,9 +58550,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.7
+68:        Time:        0.001        0.001      192.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1032.117        0.023
+68: Performance:     1055.840        0.023
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as single precision energy file
@@ -58612,10 +58639,13 @@
 68: 
 68: Writing final coordinates.
 68: 
+68: NOTE: 13 % of the run time was spent in pair search,
+68:       you might want to increase nstlist (this has no effect on accuracy)
+68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      195.7
+68:        Time:        0.002        0.001      196.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1616.954        0.015
+68: Performance:     1457.784        0.016
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -58632,9 +58662,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      195.6
+68:        Time:        0.001        0.001      195.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1046.692        0.023
+68: Performance:     1119.633        0.021
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -58650,10 +58680,13 @@
 68: 
 68: Writing final coordinates.
 68: 
+68: NOTE: 19 % of the run time was spent in pair search,
+68:       you might want to increase nstlist (this has no effect on accuracy)
+68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.4
+68:        Time:        0.002        0.001      194.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1029.186        0.023
+68: Performance:      873.926        0.027
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as single precision energy file
@@ -58726,9 +58759,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.9
+68:        Time:        0.001        0.001      192.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:     2089.754        0.011
+68: Performance:     2085.509        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -58744,9 +58777,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      191.6
+68:        Time:        0.001        0.001      191.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1389.642        0.017
+68: Performance:     1449.551        0.017
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -58762,13 +58795,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.4
+68:        Time:        0.001        0.001      191.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1287.600        0.019
+68: Performance:     1394.395        0.017
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (10 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (9 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/5
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]:
@@ -58839,9 +58872,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      193.2
+68:        Time:        0.001        0.001      192.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:     2061.778        0.012
+68: Performance:     2195.507        0.011
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 100, rlist from 0.709 to 0.733
 68: 
@@ -58859,9 +58892,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      191.3
+68:        Time:        0.001        0.001      191.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1429.851        0.017
+68: Performance:     1473.787        0.016
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 100, rlist from 0.709 to 0.733
 68: 
@@ -58879,9 +58912,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.1
+68:        Time:        0.001        0.001      192.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1353.316        0.018
+68: Performance:     1260.236        0.019
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as single precision energy file
@@ -58958,9 +58991,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      193.4
+68:        Time:        0.001        0.001      193.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1998.895        0.012
+68: Performance:     2074.274        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -58976,9 +59009,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      191.7
+68:        Time:        0.001        0.001      191.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1376.737        0.017
+68: Performance:     1464.522        0.016
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -58994,13 +59027,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.4
+68:        Time:        0.001        0.001      192.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1313.000        0.018
+68: Performance:     1357.258        0.018
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (10 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (9 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/7
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]:
@@ -59075,9 +59108,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      193.4
+68:        Time:        0.001        0.001      193.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:     2148.794        0.011
+68: Performance:     2079.174        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 100, rlist from 0.702 to 0.738
 68: 
@@ -59095,9 +59128,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      191.7
+68:        Time:        0.001        0.001      191.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1425.477        0.017
+68: Performance:     1471.128        0.016
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 100, rlist from 0.702 to 0.738
 68: 
@@ -59115,9 +59148,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      191.8
+68:        Time:        0.001        0.001      192.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1370.374        0.018
+68: Performance:     1356.129        0.018
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_secondpart.part0002.edr as single precision energy file
@@ -59225,9 +59258,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.4
+68:        Time:        0.001        0.001      192.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:     2077.772        0.012
+68: Performance:     2104.028        0.011
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -59244,9 +59277,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      184.6
+68:        Time:        0.001        0.001      190.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1364.640        0.018
+68: Performance:     1405.209        0.017
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -59265,7 +59298,7 @@
 68:                Core t (s)   Wall t (s)        (%)
 68:        Time:        0.001        0.001      190.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1296.300        0.019
+68: Performance:     1318.840        0.018
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_secondpart.part0002.edr as single precision energy file
@@ -59373,9 +59406,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.3
+68:        Time:        0.001        0.001      192.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:     2002.794        0.012
+68: Performance:     2037.907        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -59392,9 +59425,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      190.3
+68:        Time:        0.001        0.001      190.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1444.416        0.017
+68: Performance:     1415.578        0.017
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -59411,9 +59444,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      190.1
+68:        Time:        0.001        0.001      189.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1265.124        0.019
+68: Performance:     1305.641        0.018
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_secondpart.part0002.edr as single precision energy file
@@ -59523,7 +59556,7 @@
 68:                Core t (s)   Wall t (s)        (%)
 68:        Time:        0.002        0.001      195.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1543.235        0.016
+68: Performance:     1462.976        0.016
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -59542,7 +59575,7 @@
 68:                Core t (s)   Wall t (s)        (%)
 68:        Time:        0.001        0.001      194.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1077.111        0.022
+68: Performance:     1060.992        0.023
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -59559,13 +59592,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      193.1
+68:        Time:        0.002        0.001      193.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1030.813        0.023
+68: Performance:      974.452        0.025
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/10 (11 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/10 (10 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/11
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]:
@@ -59669,9 +59702,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      195.7
+68:        Time:        0.002        0.001      195.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1523.015        0.016
+68: Performance:     1547.888        0.016
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -59688,9 +59721,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      195.4
+68:        Time:        0.001        0.001      194.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:      895.522        0.027
+68: Performance:     1065.150        0.023
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -59707,13 +59740,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.7
+68:        Time:        0.001        0.001      193.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1023.695        0.023
+68: Performance:     1037.370        0.023
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/11 (11 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/11 (10 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/12
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_12_input.mdp]:
@@ -59800,9 +59833,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.8
+68:        Time:        0.001        0.001      193.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:     2081.985        0.012
+68: Performance:     2070.788        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_12_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -59818,9 +59851,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      190.7
+68:        Time:        0.001        0.001      191.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1421.129        0.017
+68: Performance:     1245.319        0.019
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_12_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -59836,9 +59869,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      191.3
+68:        Time:        0.001        0.001      191.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1330.678        0.018
+68: Performance:     1335.035        0.018
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_12_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_12_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_12_secondpart.part0002.edr as single precision energy file
@@ -59931,9 +59964,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.9
+68:        Time:        0.001        0.001      192.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1999.544        0.012
+68: Performance:     2101.157        0.011
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_13_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 100, rlist from 0.73 to 0.811
 68: 
@@ -59951,9 +59984,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      190.8
+68:        Time:        0.001        0.001      190.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1400.984        0.017
+68: Performance:     1465.839        0.016
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_13_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 100, rlist from 0.73 to 0.811
 68: 
@@ -59971,9 +60004,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      191.3
+68:        Time:        0.001        0.001      190.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1276.014        0.019
+68: Performance:     1342.177        0.018
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_13_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_13_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_13_secondpart.part0002.edr as single precision energy file
@@ -60068,9 +60101,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      194.0
+68:        Time:        0.002        0.001      193.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1853.368        0.013
+68: Performance:     1892.656        0.013
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_14_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -60086,9 +60119,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.0
+68:        Time:        0.001        0.001      191.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1342.730        0.018
+68: Performance:     1347.167        0.018
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_14_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -60104,9 +60137,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      193.6
+68:        Time:        0.001        0.001      192.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1036.052        0.023
+68: Performance:     1236.819        0.019
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_14_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_14_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_14_secondpart.part0002.edr as single precision energy file
@@ -60203,9 +60236,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      193.4
+68:        Time:        0.002        0.001      194.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:     2014.583        0.012
+68: Performance:     1658.749        0.014
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_15_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 25, rlist from 0.752 to 0.89
 68: 
@@ -60223,9 +60256,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      191.7
+68:        Time:        0.001        0.001      191.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1399.781        0.017
+68: Performance:     1377.319        0.017
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_15_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 25, rlist from 0.752 to 0.89
 68: 
@@ -60243,9 +60276,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.0
+68:        Time:        0.001        0.001      192.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1296.815        0.019
+68: Performance:     1232.146        0.019
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_15_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_15_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_15_secondpart.part0002.edr as single precision energy file
@@ -60399,9 +60432,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.004        0.002      196.4
+68:        Time:        0.004        0.002      195.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      684.891        0.035
+68: Performance:      656.990        0.037
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_16_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -60420,9 +60453,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      193.8
+68:        Time:        0.002        0.001      193.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:      702.756        0.034
+68: Performance:      689.679        0.035
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_16_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -60441,9 +60474,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      193.9
+68:        Time:        0.002        0.001      193.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:      677.360        0.035
+68: Performance:      647.250        0.037
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_16_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_16_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_16_secondpart.part0002.edr as single precision energy file
@@ -60597,9 +60630,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.004        0.002      196.2
+68:        Time:        0.004        0.002      196.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:      700.386        0.034
+68: Performance:      671.454        0.036
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_17_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -60618,9 +60651,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      193.8
+68:        Time:        0.002        0.001      191.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      695.414        0.035
+68: Performance:      677.360        0.035
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_17_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -60639,13 +60672,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      193.7
+68:        Time:        0.002        0.001      193.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      681.465        0.035
+68: Performance:      676.658        0.035
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_17_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_17_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_17_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/17 (24 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/17 (25 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/18
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_18_input.mdp]:
@@ -60795,9 +60828,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.005        0.002      196.7
+68:        Time:        0.005        0.002      196.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:      605.821        0.040
+68: Performance:      634.067        0.038
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_18_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -60816,9 +60849,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      194.1
+68:        Time:        0.002        0.001      194.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:      635.768        0.038
+68: Performance:      634.284        0.038
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_18_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -60837,13 +60870,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      194.3
+68:        Time:        0.003        0.001      194.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:      636.761        0.038
+68: Performance:      547.046        0.044
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_18_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_18_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_18_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/18 (25 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/18 (26 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/19
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_19_input.mdp]:
@@ -60993,9 +61026,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.004        0.002      196.3
+68:        Time:        0.005        0.002      196.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:      641.061        0.037
+68: Performance:      600.331        0.040
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_19_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -61014,9 +61047,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      193.9
+68:        Time:        0.002        0.001      194.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      641.899        0.037
+68: Performance:      618.058        0.039
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_19_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -61035,13 +61068,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.001      194.1
+68:        Time:        0.002        0.001      194.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      603.421        0.040
+68: Performance:      625.886        0.038
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_19_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_19_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_19_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/19 (25 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/19 (26 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/20
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_20_input.mdp]:
@@ -61174,9 +61207,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.004        0.002      196.8
+68:        Time:        0.004        0.002      196.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:      642.867        0.037
+68: Performance:      665.075        0.036
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_20_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Update groups can not be used for this system because an incompatible virtual site type is used
 68: 
@@ -61194,9 +61227,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      194.1
+68:        Time:        0.002        0.001      194.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:      647.121        0.037
+68: Performance:      618.058        0.039
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_20_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Update groups can not be used for this system because an incompatible virtual site type is used
 68: 
@@ -61213,14 +61246,17 @@
 68: 
 68: Writing final coordinates.
 68: 
+68: NOTE: 16 % of the run time was spent in pair search,
+68:       you might want to increase nstlist (this has no effect on accuracy)
+68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      194.6
+68:        Time:        0.003        0.001      194.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:      650.736        0.037
+68: Performance:      551.114        0.044
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_20_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_20_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_20_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/20 (41 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/20 (42 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/21
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_21_input.mdp]:
@@ -61355,9 +61391,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.004        0.002      196.6
+68:        Time:        0.004        0.002      196.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      698.797        0.034
+68: Performance:      666.947        0.036
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_21_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 80, rlist from 0.741 to 0.841
 68: 
@@ -61377,9 +61413,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      193.8
+68:        Time:        0.002        0.001      194.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:      670.951        0.036
+68: Performance:      654.655        0.037
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_21_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 80, rlist from 0.741 to 0.841
 68: 
@@ -61399,13 +61435,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      194.3
+68:        Time:        0.003        0.001      194.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      635.644        0.038
+68: Performance:      591.815        0.041
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_21_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_21_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_21_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/21 (94 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/21 (95 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/22
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_22_input.mdp]:
@@ -61542,9 +61578,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.005        0.003      197.3
+68:        Time:        0.006        0.003      197.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:      542.067        0.044
+68: Performance:      499.076        0.048
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_22_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Update groups can not be used for this system because an incompatible virtual site type is used
 68: 
@@ -61562,9 +61598,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.001      195.0
+68:        Time:        0.003        0.002      195.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      524.103        0.046
+68: Performance:      513.378        0.047
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_22_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Update groups can not be used for this system because an incompatible virtual site type is used
 68: 
@@ -61582,13 +61618,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.002      195.3
+68:        Time:        0.003        0.002      195.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:      518.355        0.046
+68: Performance:      499.616        0.048
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_22_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_22_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_22_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/22 (39 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/22 (40 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/23
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_23_input.mdp]:
@@ -61727,9 +61763,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.005        0.003      197.0
+68:        Time:        0.005        0.003      197.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      543.406        0.044
+68: Performance:      543.790        0.044
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_23_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 25, rlist from 0.724 to 0.793
 68: 
@@ -61749,9 +61785,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.001      194.9
+68:        Time:        0.003        0.001      195.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      546.771        0.044
+68: Performance:      538.822        0.045
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_23_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 25, rlist from 0.724 to 0.793
 68: 
@@ -61771,14 +61807,14 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.001      195.5
+68:        Time:        0.003        0.002      195.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:      525.877        0.046
+68: Performance:      504.797        0.048
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_23_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_23_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_23_secondpart.part0002.edr as single precision energy file
 68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/23 (53 ms)
-68: [----------] 24 tests from NormalIntegrators/MdrunNoAppendContinuationIsExact (500 ms total)
+68: [----------] 24 tests from NormalIntegrators/MdrunNoAppendContinuationIsExact (504 ms total)
 68: 
 68: [----------] 8 tests from NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact
 68: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -61895,10 +61931,13 @@
 68: 
 68: Writing final coordinates.
 68: 
+68: NOTE: 11 % of the run time was spent in pair search,
+68:       you might want to increase nstlist (this has no effect on accuracy)
+68: 
 68:                Core t (s)   Wall t (s)        (%)
 68:        Time:        0.003        0.002      194.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:      941.555        0.025
+68: Performance:      872.853        0.027
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -61915,9 +61954,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      192.3
+68:        Time:        0.003        0.001      194.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:      727.362        0.033
+68: Performance:      523.262        0.046
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -61934,13 +61973,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      192.2
+68:        Time:        0.002        0.001      193.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:      719.499        0.033
+68: Performance:      688.369        0.035
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (23 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (25 ms)
 68: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -62056,9 +62095,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.002      194.7
+68:        Time:        0.003        0.002      194.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:      943.718        0.025
+68: Performance:      931.729        0.026
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -62075,9 +62114,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      189.8
+68:        Time:        0.003        0.002      194.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:      713.206        0.034
+68: Performance:      498.090        0.048
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -62094,13 +62133,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      192.6
+68:        Time:        0.002        0.001      190.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      708.712        0.034
+68: Performance:      657.824        0.036
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (22 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (25 ms)
 68: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/2
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]:
@@ -62216,9 +62255,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.004        0.002      197.5
+68:        Time:        0.004        0.002      197.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      751.934        0.032
+68: Performance:      721.297        0.033
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -62235,9 +62274,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.004        0.002      197.4
+68:        Time:        0.004        0.002      197.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:      418.193        0.057
+68: Performance:      411.389        0.058
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -62254,9 +62293,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.001      193.5
+68:        Time:        0.003        0.002      193.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      534.058        0.045
+68: Performance:      513.297        0.047
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as single precision energy file
@@ -62376,9 +62415,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.004        0.002      197.4
+68:        Time:        0.005        0.002      197.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:      728.719        0.033
+68: Performance:      610.443        0.039
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -62395,9 +62434,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.004        0.002      197.3
+68:        Time:        0.003        0.001      196.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:      435.970        0.055
+68: Performance:      529.291        0.045
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -62414,13 +62453,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.001      193.4
+68:        Time:        0.003        0.002      193.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:      555.336        0.043
+68: Performance:      510.246        0.047
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (26 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (25 ms)
 68: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/4
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]:
@@ -62519,9 +62558,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.002      195.2
+68:        Time:        0.003        0.002      194.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      907.037        0.026
+68: Performance:      898.046        0.027
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -62537,9 +62576,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.002      194.5
+68:        Time:        0.003        0.002      194.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      495.969        0.048
+68: Performance:      494.615        0.049
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -62555,9 +62594,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      193.1
+68:        Time:        0.002        0.001      193.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:      651.256        0.037
+68: Performance:      648.021        0.037
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as single precision energy file
@@ -62662,9 +62701,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.002      194.6
+68:        Time:        0.003        0.002      194.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      933.282        0.026
+68: Performance:      910.657        0.026
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 100, rlist from 0.728 to 0.806
 68: 
@@ -62682,9 +62721,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.002      194.4
+68:        Time:        0.003        0.002      194.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      511.526        0.047
+68: Performance:      499.463        0.048
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 100, rlist from 0.728 to 0.806
 68: 
@@ -62702,9 +62741,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      193.5
+68:        Time:        0.002        0.001      193.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:      667.518        0.036
+68: Performance:      633.668        0.038
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as single precision energy file
@@ -62811,9 +62850,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.004        0.002      194.0
+68:        Time:        0.004        0.002      195.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      810.498        0.030
+68: Performance:      800.701        0.030
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -62829,9 +62868,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.002      195.1
+68:        Time:        0.003        0.002      195.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      495.065        0.048
+68: Performance:      461.445        0.052
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -62847,9 +62886,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      193.7
+68:        Time:        0.003        0.001      193.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      616.889        0.039
+68: Performance:      595.054        0.040
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_6_secondpart.part0002.edr as single precision energy file
@@ -62958,9 +62997,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.002      195.5
+68:        Time:        0.003        0.002      195.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      875.084        0.027
+68: Performance:      819.882        0.029
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 20, rlist from 0.749 to 0.842
 68: 
@@ -62978,9 +63017,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.002      193.3
+68:        Time:        0.002        0.001      193.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:      491.262        0.049
+68: Performance:      615.143        0.039
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 20, rlist from 0.749 to 0.843
 68: 
@@ -62998,14 +63037,14 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      193.9
+68:        Time:        0.003        0.001      193.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:      624.089        0.038
+68: Performance:      597.671        0.040
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_7_secondpart.part0002.edr as single precision energy file
 68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (37 ms)
-68: [----------] 8 tests from NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact (311 ms total)
+68: [----------] 8 tests from NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact (315 ms total)
 68: 
 68: [----------] 8 tests from NVT/MdrunNoAppendContinuationIsExact
 68: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -63080,9 +63119,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.6
+68:        Time:        0.002        0.001      194.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:     2001.492        0.012
+68: Performance:     1353.084        0.018
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -63098,9 +63137,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      190.1
+68:        Time:        0.001        0.001      191.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1457.324        0.016
+68: Performance:     1280.020        0.019
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -63116,9 +63155,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      190.7
+68:        Time:        0.001        0.001      190.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1276.513        0.019
+68: Performance:     1359.521        0.018
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
@@ -63197,9 +63236,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.1
+68:        Time:        0.001        0.001      192.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:     2205.726        0.011
+68: Performance:     2012.608        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 100, rlist from 0.702 to 0.738
 68: 
@@ -63219,7 +63258,7 @@
 68:                Core t (s)   Wall t (s)        (%)
 68:        Time:        0.001        0.001      190.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1377.901        0.017
+68: Performance:     1456.673        0.016
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 100, rlist from 0.702 to 0.738
 68: 
@@ -63237,9 +63276,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      190.7
+68:        Time:        0.001        0.001      191.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1338.871        0.018
+68: Performance:     1222.906        0.020
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file
@@ -63326,9 +63365,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      191.7
+68:        Time:        0.001        0.001      192.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:     2141.326        0.011
+68: Performance:     2031.858        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -63344,9 +63383,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      189.8
+68:        Time:        0.001        0.001      190.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1479.805        0.016
+68: Performance:     1394.395        0.017
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -63362,9 +63401,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      191.1
+68:        Time:        0.001        0.001      191.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1313.000        0.018
+68: Performance:     1346.611        0.018
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as single precision energy file
@@ -63453,9 +63492,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.0
+68:        Time:        0.001        0.001      192.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:     2232.908        0.011
+68: Performance:     2094.016        0.011
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 100, rlist from 0.702 to 0.738
 68: 
@@ -63475,7 +63514,7 @@
 68:                Core t (s)   Wall t (s)        (%)
 68:        Time:        0.001        0.001      190.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1482.496        0.016
+68: Performance:     1446.337        0.017
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 100, rlist from 0.702 to 0.738
 68: 
@@ -63493,13 +63532,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      190.6
+68:        Time:        0.001        0.001      190.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1450.196        0.017
+68: Performance:     1367.501        0.018
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (9 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (10 ms)
 68: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/4
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]:
@@ -63574,7 +63613,7 @@
 68:                Core t (s)   Wall t (s)        (%)
 68:        Time:        0.002        0.001      195.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1651.634        0.015
+68: Performance:     1546.334        0.016
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -63590,9 +63629,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      195.2
+68:        Time:        0.001        0.001      195.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1082.832        0.022
+68: Performance:     1029.836        0.023
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -63608,9 +63647,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      191.8
+68:        Time:        0.002        0.001      193.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1046.356        0.023
+68: Performance:      871.590        0.028
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as single precision energy file
@@ -63689,9 +63728,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      194.6
+68:        Time:        0.002        0.001      194.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1734.890        0.014
+68: Performance:     1631.081        0.015
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 100, rlist from 0.702 to 0.738
 68: 
@@ -63709,9 +63748,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      194.3
+68:        Time:        0.001        0.001      194.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1136.408        0.021
+68: Performance:     1070.745        0.022
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 100, rlist from 0.702 to 0.738
 68: 
@@ -63729,13 +63768,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      191.3
+68:        Time:        0.002        0.001      191.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1080.680        0.022
+68: Performance:      988.630        0.024
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (10 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (11 ms)
 68: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/6
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]:
@@ -63808,9 +63847,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      196.2
+68:        Time:        0.002        0.001      196.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1409.102        0.017
+68: Performance:     1373.599        0.017
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -63826,9 +63865,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      195.2
+68:        Time:        0.002        0.001      195.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      972.418        0.025
+68: Performance:      888.932        0.027
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -63844,13 +63883,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      192.7
+68:        Time:        0.002        0.001      192.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:      941.539        0.025
+68: Performance:      892.581        0.027
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (10 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (11 ms)
 68: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/7
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]:
@@ -63927,7 +63966,7 @@
 68:                Core t (s)   Wall t (s)        (%)
 68:        Time:        0.002        0.001      195.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1493.115        0.016
+68: Performance:     1420.474        0.017
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 100, rlist from 0.702 to 0.738
 68: 
@@ -63945,9 +63984,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      194.6
+68:        Time:        0.002        0.001      195.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1020.172        0.024
+68: Performance:      857.836        0.028
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Changing nstlist from 8 to 100, rlist from 0.702 to 0.738
 68: 
@@ -63965,14 +64004,14 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      191.6
+68:        Time:        0.002        0.001      191.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      947.557        0.025
+68: Performance:      918.730        0.026
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_secondpart.part0002.edr as single precision energy file
 68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (11 ms)
-68: [----------] 8 tests from NVT/MdrunNoAppendContinuationIsExact (83 ms total)
+68: [----------] 8 tests from NVT/MdrunNoAppendContinuationIsExact (87 ms total)
 68: 
 68: [----------] 2 tests from NPH/MdrunNoAppendContinuationIsExact
 68: [ RUN      ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -64058,9 +64097,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      191.8
+68:        Time:        0.001        0.001      191.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:     2111.238        0.011
+68: Performance:     1980.262        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -64077,9 +64116,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      191.8
+68:        Time:        0.001        0.001      189.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1110.862        0.022
+68: Performance:     1364.070        0.018
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -64096,9 +64135,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      190.4
+68:        Time:        0.001        0.001      190.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1370.950        0.018
+68: Performance:     1316.179        0.018
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
@@ -64186,9 +64225,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      195.7
+68:        Time:        0.002        0.001      196.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1543.235        0.016
+68: Performance:     1507.363        0.016
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -64205,9 +64244,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      194.9
+68:        Time:        0.002        0.001      196.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1068.290        0.022
+68: Performance:      763.100        0.031
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -64224,13 +64263,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      191.7
+68:        Time:        0.002        0.001      192.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1000.151        0.024
+68: Performance:      929.200        0.026
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (10 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (11 ms)
 68: [----------] 2 tests from NPH/MdrunNoAppendContinuationIsExact (21 ms total)
 68: 
 68: [----------] 8 tests from NPT/MdrunNoAppendContinuationIsExact
@@ -64306,9 +64345,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.4
+68:        Time:        0.002        0.001      192.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:     2008.671        0.012
+68: Performance:     1821.583        0.013
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -64324,9 +64363,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      184.6
+68:        Time:        0.001        0.001      189.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1402.189        0.017
+68: Performance:     1342.177        0.018
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -64342,9 +64381,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      190.7
+68:        Time:        0.001        0.001      190.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1306.687        0.018
+68: Performance:     1147.200        0.021
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
@@ -64421,9 +64460,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.3
+68:        Time:        0.001        0.001      191.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1972.021        0.012
+68: Performance:     2062.469        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -64439,9 +64478,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      189.5
+68:        Time:        0.001        0.001      189.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1381.988        0.017
+68: Performance:     1411.290        0.017
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -64457,9 +64496,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.1
+68:        Time:        0.001        0.001      190.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1088.979        0.022
+68: Performance:     1320.442        0.018
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file
@@ -64548,7 +64587,7 @@
 68:                Core t (s)   Wall t (s)        (%)
 68:        Time:        0.001        0.001      191.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:     2154.054        0.011
+68: Performance:     1972.652        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -64564,9 +64603,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      190.3
+68:        Time:        0.001        0.001      189.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1398.581        0.017
+68: Performance:     1400.382        0.017
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -64582,13 +64621,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      190.5
+68:        Time:        0.001        0.001      190.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1356.693        0.018
+68: Performance:     1336.129        0.018
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (9 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (10 ms)
 68: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/3
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]:
@@ -64671,9 +64710,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      194.0
+68:        Time:        0.001        0.001      192.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1552.960        0.015
+68: Performance:     1918.590        0.013
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -64689,9 +64728,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      189.3
+68:        Time:        0.001        0.001      190.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1468.479        0.016
+68: Performance:     1375.576        0.017
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -64707,9 +64746,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      190.3
+68:        Time:        0.001        0.001      190.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1308.784        0.018
+68: Performance:     1322.583        0.018
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as single precision energy file
@@ -64786,9 +64825,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      195.4
+68:        Time:        0.002        0.001      195.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1549.055        0.015
+68: Performance:     1507.732        0.016
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -64804,9 +64843,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      194.8
+68:        Time:        0.002        0.001      194.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      995.267        0.024
+68: Performance:      943.992        0.025
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -64822,9 +64861,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      191.5
+68:        Time:        0.002        0.001      191.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:      948.108        0.025
+68: Performance:      932.121        0.026
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as single precision energy file
@@ -64901,9 +64940,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      195.7
+68:        Time:        0.002        0.001      195.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1488.066        0.016
+68: Performance:     1498.928        0.016
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -64919,9 +64958,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      194.8
+68:        Time:        0.002        0.001      195.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:      990.732        0.024
+68: Performance:     1003.227        0.024
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -64937,9 +64976,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      191.5
+68:        Time:        0.002        0.001      192.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:      952.538        0.025
+68: Performance:      933.455        0.026
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as single precision energy file
@@ -65018,9 +65057,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      196.2
+68:        Time:        0.002        0.001      196.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1319.750        0.018
+68: Performance:     1351.600        0.018
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -65036,9 +65075,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      195.2
+68:        Time:        0.002        0.001      195.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:      951.704        0.025
+68: Performance:      901.961        0.027
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -65054,14 +65093,14 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      192.2
+68:        Time:        0.002        0.001      191.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      877.216        0.027
+68: Performance:      835.209        0.029
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_secondpart.part0002.edr as single precision energy file
 68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (11 ms)
-68: [----------] 8 tests from NPT/MdrunNoAppendContinuationIsExact (74 ms total)
+68: [----------] 8 tests from NPT/MdrunNoAppendContinuationIsExact (76 ms total)
 68: 
 68: [----------] 1 test from MTTK/MdrunNoAppendContinuationIsExact
 68: [ RUN      ] MTTK/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -65144,9 +65183,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.002      196.6
+68:        Time:        0.003        0.002      196.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:      913.628        0.026
+68: Performance:      957.060        0.025
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -65162,9 +65201,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      195.2
+68:        Time:        0.002        0.001      195.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:      773.232        0.031
+68: Performance:      752.536        0.032
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -65180,9 +65219,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      191.2
+68:        Time:        0.002        0.001      193.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:      726.390        0.033
+68: Performance:      681.892        0.035
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
@@ -65291,9 +65330,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      191.3
+68:        Time:        0.002        0.001      191.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1825.902        0.013
+68: Performance:     1703.233        0.014
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -65310,9 +65349,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      189.5
+68:        Time:        0.001        0.001      189.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1192.501        0.020
+68: Performance:     1189.457        0.020
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -65329,13 +65368,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      189.5
+68:        Time:        0.001        0.001      189.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1179.563        0.020
+68: Performance:     1136.408        0.021
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Pull/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (11 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Pull/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (12 ms)
 68: [ RUN      ] Pull/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -65437,9 +65476,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      195.0
+68:        Time:        0.002        0.001      195.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1372.987        0.017
+68: Performance:     1351.304        0.018
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -65456,9 +65495,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      194.4
+68:        Time:        0.002        0.001      194.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:      898.730        0.027
+68: Performance:      910.268        0.026
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -65475,18 +65514,18 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      192.3
+68:        Time:        0.003        0.001      194.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      863.971        0.028
+68: Performance:      601.529        0.040
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file
 68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Pull/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (12 ms)
-68: [----------] 2 tests from Pull/MdrunNoAppendContinuationIsExact (24 ms total)
+68: [----------] 2 tests from Pull/MdrunNoAppendContinuationIsExact (25 ms total)
 68: 
 68: [----------] 2 tests from Awh/MdrunNoAppendContinuationIsExact
 68: [ RUN      ] Awh/MdrunNoAppendContinuationIsExact.WithinTolerances/0
-68: Setting the AWH bias MC random seed to 1605828558
+68: Setting the AWH bias MC random seed to 2130706109
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]:
 68:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -65517,7 +65556,7 @@
 68:        3         1         0     158.667 deg          0.000 deg
 68: 
 68: There were 3 NOTEs
-68: Setting the AWH bias MC random seed to -1242407425
+68: Setting the AWH bias MC random seed to 1161377439
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]:
 68:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -65603,7 +65642,7 @@
 68:                Core t (s)   Wall t (s)        (%)
 68:        Time:        0.004        0.002      194.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      679.527        0.035
+68: Performance:      690.572        0.035
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -65619,9 +65658,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      190.9
+68:        Time:        0.002        0.001      191.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      642.532        0.037
+68: Performance:      619.820        0.039
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -65637,15 +65676,15 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.001      191.8
+68:        Time:        0.003        0.001      191.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      584.287        0.041
+68: Performance:      577.971        0.042
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
 68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Awh/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (32 ms)
 68: [ RUN      ] Awh/MdrunNoAppendContinuationIsExact.WithinTolerances/1
-68: Setting the AWH bias MC random seed to -67183755
+68: Setting the AWH bias MC random seed to -285895370
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
 68:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -65676,7 +65715,7 @@
 68:        3         1         0     158.667 deg          0.000 deg
 68: 
 68: There were 3 NOTEs
-68: Setting the AWH bias MC random seed to 2113649934
+68: Setting the AWH bias MC random seed to -319040067
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
 68:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -65762,7 +65801,7 @@
 68:                Core t (s)   Wall t (s)        (%)
 68:        Time:        0.004        0.002      194.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:      684.206        0.035
+68: Performance:      667.743        0.036
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -65780,7 +65819,7 @@
 68:                Core t (s)   Wall t (s)        (%)
 68:        Time:        0.002        0.001      191.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:      609.169        0.039
+68: Performance:      602.084        0.040
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -65796,14 +65835,14 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.001      191.7
+68:        Time:        0.003        0.001      191.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:      578.997        0.041
+68: Performance:      565.642        0.042
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Awh/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (31 ms)
-68: [----------] 2 tests from Awh/MdrunNoAppendContinuationIsExact (63 ms total)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Awh/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (32 ms)
+68: [----------] 2 tests from Awh/MdrunNoAppendContinuationIsExact (64 ms total)
 68: 
 68: [----------] 1 test from ExpandedEnsemble/MdrunNoAppendContinuationIsExact
 68: [ RUN      ] ExpandedEnsemble/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -65900,9 +65939,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.006        0.003      198.2
+68:        Time:        0.006        0.003      198.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:      466.111        0.051
+68: Performance:      452.719        0.053
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsemble_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -65918,9 +65957,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.005        0.002      197.9
+68:        Time:        0.004        0.002      197.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      312.973        0.077
+68: Performance:      357.150        0.067
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsemble_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -65936,14 +65975,14 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.004        0.002      194.3
+68:        Time:        0.005        0.003      193.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:      356.486        0.067
+68: Performance:      294.146        0.082
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsemble_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsemble_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsemble_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] ExpandedEnsemble/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (37 ms)
-68: [----------] 1 test from ExpandedEnsemble/MdrunNoAppendContinuationIsExact (37 ms total)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] ExpandedEnsemble/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (38 ms)
+68: [----------] 1 test from ExpandedEnsemble/MdrunNoAppendContinuationIsExact (38 ms total)
 68: 
 68: [----------] 3 tests from Checking/InitialConstraintsTest
 68: [ RUN      ] Checking/InitialConstraintsTest.Works/0
@@ -65974,7 +66013,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc-and-methanol'
 68: 1 steps,      0.0 ps.
-68: Setting the LD random seed to -2359301
+68: Setting the LD random seed to -17174550
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -66001,9 +66040,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.000      186.7
+68:        Time:        0.001        0.000      185.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:      382.871        0.063
+68: Performance:      396.486        0.061
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_0_spc-and-methanol.edr as single precision energy file
 68: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/0 (4 ms)
 68: [ RUN      ] Checking/InitialConstraintsTest.Works/1
@@ -66034,7 +66073,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc-and-methanol'
 68: 1 steps,      0.0 ps.
-68: Setting the LD random seed to -838862953
+68: Setting the LD random seed to -1279526945
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -66061,9 +66100,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      192.7
+68:        Time:        0.001        0.001      192.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      290.958        0.082
+68: Performance:      287.381        0.084
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_1_spc-and-methanol.edr as single precision energy file
 68: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/1 (4 ms)
 68: [ RUN      ] Checking/InitialConstraintsTest.Works/2
@@ -66100,7 +66139,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc-and-methanol'
 68: 1 steps,      0.0 ps.
-68: Setting the LD random seed to -3182337
+68: Setting the LD random seed to -69550094
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -66127,17 +66166,17 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.000      187.2
+68:        Time:        0.001        0.000      179.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      375.921        0.064
+68: Performance:      365.310        0.066
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_2_spc-and-methanol.edr as single precision energy file
 68: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/2 (4 ms)
 68: [----------] 3 tests from Checking/InitialConstraintsTest (12 ms total)
 68: 
 68: [----------] Global test environment tear-down
-68: [==========] 76 tests from 13 test suites ran. (1315 ms total)
+68: [==========] 76 tests from 13 test suites ran. (1395 ms total)
 68: [  PASSED  ] 76 tests.
-68/92 Test #68: MdrunIOTests ..............................   Passed    1.33 sec
+68/92 Test #68: MdrunIOTests ..............................   Passed    1.42 sec
 test 69
       Start 69: MdrunTestsOneRank
 
@@ -66188,7 +66227,7 @@
 69: SWAP: Channel 1 flux history for ion type CL- (charge -1): 0 molecules
 69: starting mdrun 'Channel_coco in octane membrane'
 69: 2 steps,      0.0 ps.
-69: Setting the LD random seed to -421531673
+69: Setting the LD random seed to -805651593
 69: 
 69: Generated 330891 of the 330891 non-bonded parameter combinations
 69: 
@@ -66232,13 +66271,13 @@
 69: 
 69: Writing final coordinates.
 69: 
-69: NOTE: 39 % of the run time was spent in pair search,
+69: NOTE: 41 % of the run time was spent in pair search,
 69:       you might want to increase nstlist (this has no effect on accuracy)
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.292        0.146      199.9
+69:        Time:        0.284        0.142      199.9
 69:                  (ns/day)    (hour/ns)
-69: Performance:        8.875        2.704
+69: Performance:        9.130        2.629
 69: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/CompelTest_SwapCanRun.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 69: Overriding nsteps with value passed on the command line: 2 steps, 0.01 ps
 69: 
@@ -66263,15 +66302,15 @@
 69: 
 69: Writing final coordinates.
 69: 
-69: NOTE: 31 % of the run time was spent in pair search,
+69: NOTE: 28 % of the run time was spent in pair search,
 69:       you might want to increase nstlist (this has no effect on accuracy)
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.207        0.104      199.9
+69:        Time:        0.190        0.095      199.9
 69:                  (ns/day)    (hour/ns)
-69: Performance:       12.484        1.922
-69: [       OK ] CompelTest.SwapCanRun (502 ms)
-69: [----------] 1 test from CompelTest (502 ms total)
+69: Performance:       13.644        1.759
+69: [       OK ] CompelTest.SwapCanRun (442 ms)
+69: [----------] 1 test from CompelTest (442 ms total)
 69: 
 69: [----------] 6 tests from BondedInteractionsTest
 69: [ RUN      ] BondedInteractionsTest.NormalBondWorks
@@ -66313,14 +66352,14 @@
 69: Reading frames from gro file 'A single butane', 4 atoms.
 69: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 69: 
-69: NOTE: 19 % of the run time was spent in pair search,
+69: NOTE: 18 % of the run time was spent in pair search,
 69:       you might want to increase nstlist (this has no effect on accuracy)
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.000        0.000      185.0
+69:        Time:        0.000        0.000      187.1
 69:                  (ns/day)    (hour/ns)
-69: Performance:      493.716        0.049
-69: Setting the LD random seed to -537986306
+69: Performance:      457.560        0.052
+69: Setting the LD random seed to -620776449
 69: 
 69: Generated 3 of the 3 non-bonded parameter combinations
 69: 
@@ -66329,7 +66368,7 @@
 69: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 69: 
 69: This run will generate roughly 0 Mb of data
-69: [       OK ] BondedInteractionsTest.NormalBondWorks (4 ms)
+69: [       OK ] BondedInteractionsTest.NormalBondWorks (3 ms)
 69: [ RUN      ] BondedInteractionsTest.TabulatedBondWorks
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedBondWorks_input.mdp]:
@@ -66369,14 +66408,14 @@
 69: Reading frames from gro file 'A single butane', 4 atoms.
 69: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 69: 
-69: NOTE: 18 % of the run time was spent in pair search,
+69: NOTE: 12 % of the run time was spent in pair search,
 69:       you might want to increase nstlist (this has no effect on accuracy)
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.000        0.000      184.3
+69:        Time:        0.000        0.000      105.2
 69:                  (ns/day)    (hour/ns)
-69: Performance:      489.052        0.049
-69: Setting the LD random seed to -1318199378
+69: Performance:      291.778        0.082
+69: Setting the LD random seed to -1342278529
 69: 
 69: Generated 3 of the 3 non-bonded parameter combinations
 69: 
@@ -66425,14 +66464,14 @@
 69: Reading frames from gro file 'A single butane', 4 atoms.
 69: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 69: 
-69: NOTE: 18 % of the run time was spent in pair search,
+69: NOTE: 19 % of the run time was spent in pair search,
 69:       you might want to increase nstlist (this has no effect on accuracy)
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.000        0.000      184.2
+69:        Time:        0.000        0.000      183.5
 69:                  (ns/day)    (hour/ns)
-69: Performance:      521.421        0.046
-69: Setting the LD random seed to -188760322
+69: Performance:      574.307        0.042
+69: Setting the LD random seed to -164385
 69: 
 69: Generated 3 of the 3 non-bonded parameter combinations
 69: 
@@ -66481,14 +66520,14 @@
 69: Reading frames from gro file 'A single butane', 4 atoms.
 69: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 69: 
-69: NOTE: 19 % of the run time was spent in pair search,
+69: NOTE: 18 % of the run time was spent in pair search,
 69:       you might want to increase nstlist (this has no effect on accuracy)
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.000        0.000      182.3
+69:        Time:        0.000        0.000      185.5
 69:                  (ns/day)    (hour/ns)
-69: Performance:      542.497        0.044
-69: Setting the LD random seed to 309327611
+69: Performance:      559.241        0.043
+69: Setting the LD random seed to -274726945
 69: 
 69: Generated 3 of the 3 non-bonded parameter combinations
 69: 
@@ -66537,14 +66576,14 @@
 69: Reading frames from gro file 'A single butane', 4 atoms.
 69: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 69: 
-69: NOTE: 18 % of the run time was spent in pair search,
+69: NOTE: 19 % of the run time was spent in pair search,
 69:       you might want to increase nstlist (this has no effect on accuracy)
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.000        0.000      185.8
+69:        Time:        0.000        0.000      183.7
 69:                  (ns/day)    (hour/ns)
-69: Performance:      537.667        0.045
-69: Setting the LD random seed to 1878994940
+69: Performance:      590.208        0.041
+69: Setting the LD random seed to -1208754201
 69: 
 69: Generated 3 of the 3 non-bonded parameter combinations
 69: 
@@ -66593,14 +66632,14 @@
 69: Reading frames from gro file 'A single butane', 4 atoms.
 69: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 69: 
-69: NOTE: 19 % of the run time was spent in pair search,
+69: NOTE: 18 % of the run time was spent in pair search,
 69:       you might want to increase nstlist (this has no effect on accuracy)
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.000        0.000      182.4
+69:        Time:        0.000        0.000      184.3
 69:                  (ns/day)    (hour/ns)
-69: Performance:      550.741        0.044
-69: Setting the LD random seed to 2026766063
+69: Performance:      579.821        0.041
+69: Setting the LD random seed to -70279561
 69: 
 69: Generated 3 of the 3 non-bonded parameter combinations
 69: 
@@ -66609,8 +66648,8 @@
 69: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 69: 
 69: This run will generate roughly 0 Mb of data
-69: [       OK ] BondedInteractionsTest.TabulatedDihedralWorks (4 ms)
-69: [----------] 6 tests from BondedInteractionsTest (24 ms total)
+69: [       OK ] BondedInteractionsTest.TabulatedDihedralWorks (3 ms)
+69: [----------] 6 tests from BondedInteractionsTest (22 ms total)
 69: 
 69: [----------] 2 tests from BoxDeformationTest
 69: [ RUN      ] BoxDeformationTest.flowDoesNotAffectEkin
@@ -66645,26 +66684,26 @@
 69: starting mdrun 'Argon'
 69: 0 steps,      0.0 ps.
 69: 
-69: NOTE: 26 % of the run time was spent in pair search,
+69: NOTE: 25 % of the run time was spent in pair search,
 69:       you might want to increase nstlist (this has no effect on accuracy)
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.000        0.000      160.1
+69:        Time:        0.000        0.000      157.9
 69:                  (ns/day)    (hour/ns)
-69: Performance:     1313.000        0.018
+69: Performance:     1426.724        0.017
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_flowDoesNotAffectEkin.edr as single precision energy file
-69: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -1401454599
+69: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -1360035841
 69: 
 69: Generated 1 of the 1 non-bonded parameter combinations
 69: 
 69: Excluding 1 bonded neighbours molecule type 'Argon'
 69: 
-69: Setting gen_seed to -285488674
+69: Setting gen_seed to -1185027
 69: 
 69: Velocities were taken from a Maxwell distribution at 0 K
 69: 
 69: This run will generate roughly 0 Mb of data
-69: [       OK ] BoxDeformationTest.flowDoesNotAffectEkin (4 ms)
+69: [       OK ] BoxDeformationTest.flowDoesNotAffectEkin (3 ms)
 69: [ RUN      ] BoxDeformationTest.EnergiesWithinTolerances
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_EnergiesWithinTolerances_input.mdp]:
@@ -66692,7 +66731,7 @@
 69:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 69: starting mdrun 'spc2'
 69: 20 steps,      0.0 ps.
-69: Setting the LD random seed to -1547724803
+69: Setting the LD random seed to -1697153105
 69: 
 69: Generated 330891 of the 330891 non-bonded parameter combinations
 69: 
@@ -66712,17 +66751,17 @@
 69: 
 69: Writing final coordinates.
 69: 
-69: NOTE: 1 % of the run time was spent in domain decomposition,
+69: NOTE: 2 % of the run time was spent in domain decomposition,
 69:       11 % of the run time was spent in pair search,
 69:       you might want to increase nstlist (this has no effect on accuracy)
 69: 
 69:                Core t (s)   Wall t (s)        (%)
 69:        Time:        0.077        0.039      199.8
 69:                  (ns/day)    (hour/ns)
-69: Performance:       93.940        0.255
+69: Performance:       94.162        0.255
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_EnergiesWithinTolerances.edr as single precision energy file
-69: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Reading energy frame      2 time    0.040         
Last energy frame read 2 time    0.040         [       OK ] BoxDeformationTest.EnergiesWithinTolerances (1292 ms)
-69: [----------] 2 tests from BoxDeformationTest (1296 ms total)
+69: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Reading energy frame      2 time    0.040         
Last energy frame read 2 time    0.040         [       OK ] BoxDeformationTest.EnergiesWithinTolerances (1308 ms)
+69: [----------] 2 tests from BoxDeformationTest (1311 ms total)
 69: 
 69: [----------] 1 test from PositionRestraintCommTest
 69: [ RUN      ] PositionRestraintCommTest.PositionRestraintsTwoCOMs
@@ -66771,7 +66810,7 @@
 69:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 69: starting mdrun 'Channel_coco in octane membrane'
 69: 10 steps,      0.0 ps.
-69: Setting the LD random seed to -1150451720
+69: Setting the LD random seed to -542772250
 69: 
 69: Generated 330891 of the 330891 non-bonded parameter combinations
 69: 
@@ -66814,12 +66853,12 @@
 69:       you might want to increase nstlist (this has no effect on accuracy)
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.304        0.152      199.9
+69:        Time:        0.303        0.152      199.9
 69:                  (ns/day)    (hour/ns)
-69: Performance:       12.488        1.922
+69: Performance:       12.541        1.914
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PositionRestraintCommTest_PositionRestraintsTwoCOMs.edr as single precision energy file
-69: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Last energy frame read 1 time    0.020         [       OK ] PositionRestraintCommTest.PositionRestraintsTwoCOMs (343 ms)
-69: [----------] 1 test from PositionRestraintCommTest (343 ms total)
+69: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Last energy frame read 1 time    0.020         [       OK ] PositionRestraintCommTest.PositionRestraintsTwoCOMs (345 ms)
+69: [----------] 1 test from PositionRestraintCommTest (346 ms total)
 69: 
 69: [----------] 2 tests from MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest
 69: [ RUN      ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/0
@@ -66857,7 +66896,7 @@
 69:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 69: starting mdrun 'UNNAMED in water'
 69: 4 steps,      0.0 ps.
-69: Setting the LD random seed to -301997197
+69: Setting the LD random seed to 2012663726
 69: 
 69: Generated 2211 of the 2211 non-bonded parameter combinations
 69: 
@@ -66882,7 +66921,7 @@
 69:                Core t (s)   Wall t (s)        (%)
 69:        Time:        0.005        0.003      196.6
 69:                  (ns/day)    (hour/ns)
-69: Performance:      168.115        0.143
+69: Performance:      163.651        0.147
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_input.mdp]:
 69:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
@@ -66917,7 +66956,7 @@
 69:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 69: starting mdrun 'UNNAMED in water'
 69: 4 steps,      0.0 ps.
-69: Setting the LD random seed to -537939457
+69: Setting the LD random seed to -174083
 69: 
 69: Generated 2211 of the 2211 non-bonded parameter combinations
 69: 
@@ -66942,7 +66981,7 @@
 69:                Core t (s)   Wall t (s)        (%)
 69:        Time:        0.004        0.002      195.7
 69:                  (ns/day)    (hour/ns)
-69: Performance:      222.624        0.108
+69: Performance:      216.273        0.111
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim1.edr as single precision energy file
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
 69: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         trr version: GMX_trn_file (single precision)
@@ -66950,7 +66989,7 @@
 69: 
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim1.edr as single precision energy file
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
-69: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/0 (23458 ms)
+69: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/0 (25262 ms)
 69: [ RUN      ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/1
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_input.mdp]:
@@ -66986,7 +67025,7 @@
 69:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 69: starting mdrun 'UNNAMED in water'
 69: 4 steps,      0.0 ps.
-69: Setting the LD random seed to 1862269947
+69: Setting the LD random seed to -545488899
 69: 
 69: Generated 2211 of the 2211 non-bonded parameter combinations
 69: 
@@ -67009,9 +67048,9 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.005        0.002      196.7
+69:        Time:        0.005        0.003      196.6
 69:                  (ns/day)    (hour/ns)
-69: Performance:      173.458        0.138
+69: Performance:      166.172        0.144
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_input.mdp]:
 69:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
@@ -67048,7 +67087,7 @@
 69:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 69: starting mdrun 'UNNAMED in water'
 69: 4 steps,      0.0 ps.
-69: Setting the LD random seed to -73925817
+69: Setting the LD random seed to -822085905
 69: 
 69: Generated 2211 of the 2211 non-bonded parameter combinations
 69: 
@@ -67071,9 +67110,9 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.004        0.002      195.6
+69:        Time:        0.004        0.002      195.5
 69:                  (ns/day)    (hour/ns)
-69: Performance:      222.406        0.108
+69: Performance:      220.565        0.109
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim1.edr as single precision energy file
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim2.edr as single precision energy file
 69: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
@@ -67081,7 +67120,7 @@
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim1.edr as single precision energy file
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim2.edr as single precision energy file
 69: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/1 (27 ms)
-69: [----------] 2 tests from MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest (23485 ms total)
+69: [----------] 2 tests from MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest (25290 ms total)
 69: 
 69: [----------] 1 test from MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest
 69: [ RUN      ] MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest.WithinTolerances/0
@@ -67112,7 +67151,7 @@
 69:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 69: starting mdrun 'spc2'
 69: 4 steps,      0.0 ps.
-69: Setting the LD random seed to 2008514559
+69: Setting the LD random seed to -71452801
 69: 
 69: Generated 3 of the 3 non-bonded parameter combinations
 69: 
@@ -67129,9 +67168,9 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.001        0.001      187.6
+69:        Time:        0.001        0.001      187.8
 69:                  (ns/day)    (hour/ns)
-69: Performance:      763.565        0.031
+69: Performance:      711.122        0.034
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_input.mdp]:
 69:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
@@ -67161,7 +67200,7 @@
 69:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 69: starting mdrun 'spc2'
 69: 4 steps,      0.0 ps.
-69: Setting the LD random seed to -17959113
+69: Setting the LD random seed to 1467531262
 69: 
 69: Generated 3 of the 3 non-bonded parameter combinations
 69: 
@@ -67178,9 +67217,9 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.001        0.001      188.5
+69:        Time:        0.001        0.001      188.6
 69:                  (ns/day)    (hour/ns)
-69: Performance:      700.944        0.034
+69: Performance:      662.743        0.036
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim1.edr as single precision energy file
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
 69: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
@@ -67267,12 +67306,12 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.002        0.001      192.3
+69:        Time:        0.002        0.001      192.1
 69:                  (ns/day)    (hour/ns)
-69: Performance:      863.285        0.028
+69: Performance:      864.429        0.028
 69: 
 69: 
-69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/0 (8 ms)
+69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/0 (9 ms)
 69: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/1
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_1_input.mdp]:
@@ -67348,9 +67387,9 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.002        0.001      191.0
+69:        Time:        0.002        0.001      190.7
 69:                  (ns/day)    (hour/ns)
-69: Performance:      902.710        0.027
+69: Performance:      876.745        0.027
 69: 
 69: 
 69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/1 (8 ms)
@@ -67430,9 +67469,9 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.002        0.001      190.9
+69:        Time:        0.002        0.001      192.0
 69:                  (ns/day)    (hour/ns)
-69: Performance:      936.403        0.026
+69: Performance:      804.909        0.030
 69: 
 69: 
 69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/2 (9 ms)
@@ -67512,9 +67551,9 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.002        0.001      192.4
+69:        Time:        0.002        0.001      192.6
 69:                  (ns/day)    (hour/ns)
-69: Performance:      857.159        0.028
+69: Performance:      818.442        0.029
 69: 
 69: 
 69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/3 (8 ms)
@@ -67593,12 +67632,12 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.002        0.001      191.9
+69:        Time:        0.002        0.001      192.1
 69:                  (ns/day)    (hour/ns)
-69: Performance:      869.267        0.028
+69: Performance:      798.016        0.030
 69: 
 69: 
-69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/4 (8 ms)
+69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/4 (9 ms)
 69: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/5
 69: ./src/programs/mdrun/tests/freezegroups.cpp:209: Skipped
 69: Parrinello-Rahman is not implemented in md-vv.
@@ -67674,9 +67713,9 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.002        0.001      193.2
+69:        Time:        0.002        0.001      193.1
 69:                  (ns/day)    (hour/ns)
-69: Performance:      792.201        0.030
+69: Performance:      826.531        0.029
 69: 
 69: 
 69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/6 (11 ms)
@@ -67751,9 +67790,9 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.002        0.001      192.4
+69:        Time:        0.002        0.001      192.0
 69:                  (ns/day)    (hour/ns)
-69: Performance:      860.325        0.028
+69: Performance:      850.898        0.028
 69: 
 69: 
 69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/7 (11 ms)
@@ -67828,9 +67867,9 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.002        0.001      192.2
+69:        Time:        0.002        0.001      192.6
 69:                  (ns/day)    (hour/ns)
-69: Performance:      877.925        0.027
+69: Performance:      820.088        0.029
 69: 
 69: 
 69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/8 (11 ms)
@@ -67905,7 +67944,7 @@
 69:                Core t (s)   Wall t (s)        (%)
 69:        Time:        0.002        0.001      192.3
 69:                  (ns/day)    (hour/ns)
-69: Performance:      950.595        0.025
+69: Performance:      886.034        0.027
 69: 
 69: 
 69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/9 (23 ms)
@@ -67978,9 +68017,9 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.002        0.001      191.8
+69:        Time:        0.002        0.001      192.1
 69:                  (ns/day)    (hour/ns)
-69: Performance:      879.582        0.027
+69: Performance:      857.385        0.028
 69: 
 69: 
 69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/10 (23 ms)
@@ -68053,13 +68092,13 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.002        0.001      192.0
+69:        Time:        0.002        0.001      191.7
 69:                  (ns/day)    (hour/ns)
-69: Performance:      875.333        0.027
+69: Performance:      881.008        0.027
 69: 
 69: 
 69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/11 (23 ms)
-69: [----------] 12 tests from FreezeWorks/FreezeGroupTest (148 ms total)
+69: [----------] 12 tests from FreezeWorks/FreezeGroupTest (151 ms total)
 69: 
 69: [----------] 4 tests from AccelerationWorks/AccelerationGroupTest
 69: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/0
@@ -68105,7 +68144,7 @@
 69: 
 69: Excluding 2 bonded neighbours molecule type 'SOL'
 69: 
-69: Setting gen_seed to -18953249
+69: Setting gen_seed to 2111814598
 69: 
 69: Velocities were taken from a Maxwell distribution at 0 K
 69: 
@@ -68114,9 +68153,9 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.001        0.001      189.4
+69:        Time:        0.001        0.001      189.7
 69:                  (ns/day)    (hour/ns)
-69: Performance:     2818.920        0.009
+69: Performance:     2614.421        0.009
 69: 
 69: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/0 (4 ms)
 69: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/1
@@ -68161,7 +68200,7 @@
 69: 
 69: Excluding 2 bonded neighbours molecule type 'SOL'
 69: 
-69: Setting gen_seed to 2128590847
+69: Setting gen_seed to -113902241
 69: 
 69: Velocities were taken from a Maxwell distribution at 0 K
 69: 
@@ -68170,9 +68209,9 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.001        0.001      189.5
+69:        Time:        0.001        0.001      189.3
 69:                  (ns/day)    (hour/ns)
-69: Performance:     2795.963        0.009
+69: Performance:     2623.886        0.009
 69: 
 69: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/1 (4 ms)
 69: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/2
@@ -68218,7 +68257,7 @@
 69: 
 69: Excluding 2 bonded neighbours molecule type 'SOL'
 69: 
-69: Setting gen_seed to -276892165
+69: Setting gen_seed to -375136777
 69: 
 69: Velocities were taken from a Maxwell distribution at 0 K
 69: 
@@ -68227,9 +68266,9 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.001        0.001      190.3
+69:        Time:        0.001        0.001      190.1
 69:                  (ns/day)    (hour/ns)
-69: Performance:     2545.057        0.009
+69: Performance:     2486.840        0.010
 69: 
 69: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/2 (4 ms)
 69: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/3
@@ -68274,7 +68313,7 @@
 69: 
 69: Excluding 2 bonded neighbours molecule type 'SOL'
 69: 
-69: Setting gen_seed to 2088566655
+69: Setting gen_seed to 2133842815
 69: 
 69: Velocities were taken from a Maxwell distribution at 0 K
 69: 
@@ -68285,17 +68324,17 @@
 69:                Core t (s)   Wall t (s)        (%)
 69:        Time:        0.001        0.001      190.8
 69:                  (ns/day)    (hour/ns)
-69: Performance:     2476.455        0.010
+69: Performance:     2412.345        0.010
 69: 
 69: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/3 (4 ms)
 69: [----------] 4 tests from AccelerationWorks/AccelerationGroupTest (17 ms total)
 69: 
 69: [----------] Global test environment tear-down
-69: [==========] 29 tests from 8 test suites ran. (25891 ms total)
+69: [==========] 29 tests from 8 test suites ran. (27646 ms total)
 69: [  PASSED  ] 28 tests.
 69: [  SKIPPED ] 1 test, listed below:
 69: [  SKIPPED ] FreezeWorks/FreezeGroupTest.WithinTolerances/5
-69/92 Test #69: MdrunTestsOneRank .........................   Passed   25.92 sec
+69/92 Test #69: MdrunTestsOneRank .........................   Passed   27.66 sec
 test 70
       Start 70: MdrunTestsTwoRanks
 
@@ -68346,7 +68385,7 @@
 70: SWAP: Channel 1 flux history for ion type CL- (charge -1): 0 molecules
 70: starting mdrun 'Channel_coco in octane membrane'
 70: 2 steps,      0.0 ps.
-70: Setting the LD random seed to 1060617214
+70: Setting the LD random seed to -19054
 70: 
 70: Generated 330891 of the 330891 non-bonded parameter combinations
 70: 
@@ -68393,19 +68432,19 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 21.7%.
-70:  The balanceable part of the MD step is 20%, load imbalance is computed from this.
-70:  Part of the total run time spent waiting due to load imbalance: 4.3%.
+70:  Average load imbalance: 11.9%.
+70:  The balanceable part of the MD step is 22%, load imbalance is computed from this.
+70:  Part of the total run time spent waiting due to load imbalance: 2.7%.
 70: 
 70: 
-70: NOTE: 7 % of the run time was spent in domain decomposition,
-70:       28 % of the run time was spent in pair search,
+70: NOTE: 6 % of the run time was spent in domain decomposition,
+70:       32 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.559        0.140      399.7
+70:        Time:        0.511        0.128      399.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:        9.273        2.588
+70: Performance:       10.144        2.366
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/CompelTest_SwapCanRun.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Overriding nsteps with value passed on the command line: 2 steps, 0.01 ps
 70: 
@@ -68430,15 +68469,15 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 22 % of the run time was spent in pair search,
+70: NOTE: 23 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.373        0.093      399.6
+70:        Time:        0.374        0.094      399.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:       13.868        1.731
-70: [       OK ] CompelTest.SwapCanRun (465 ms)
-70: [----------] 1 test from CompelTest (465 ms total)
+70: Performance:       13.838        1.734
+70: [       OK ] CompelTest.SwapCanRun (482 ms)
+70: [----------] 1 test from CompelTest (482 ms total)
 70: 
 70: [----------] 6 tests from BondedInteractionsTest
 70: [ RUN      ] BondedInteractionsTest.NormalBondWorks
@@ -68480,15 +68519,15 @@
 70: Reading frames from gro file 'A single butane', 4 atoms.
 70: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 70: 
-70: NOTE: 22 % of the run time was spent in domain decomposition,
-70:       13 % of the run time was spent in pair search,
+70: NOTE: 19 % of the run time was spent in domain decomposition,
+70:       10 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.000      375.8
+70:        Time:        0.002        0.001      378.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:      335.234        0.072
-70: Setting the LD random seed to -1250371609
+70: Performance:      161.636        0.148
+70: Setting the LD random seed to -1194416163
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -68497,7 +68536,7 @@
 70: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 70: 
 70: This run will generate roughly 0 Mb of data
-70: [       OK ] BondedInteractionsTest.NormalBondWorks (5 ms)
+70: [       OK ] BondedInteractionsTest.NormalBondWorks (9 ms)
 70: [ RUN      ] BondedInteractionsTest.TabulatedBondWorks
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedBondWorks_input.mdp]:
@@ -68537,15 +68576,15 @@
 70: Reading frames from gro file 'A single butane', 4 atoms.
 70: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 70: 
-70: NOTE: 24 % of the run time was spent in domain decomposition,
-70:       14 % of the run time was spent in pair search,
+70: NOTE: 22 % of the run time was spent in domain decomposition,
+70:       13 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.000      377.2
+70:        Time:        0.002        0.000      376.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:      297.527        0.081
-70: Setting the LD random seed to -1611137346
+70: Performance:      174.855        0.137
+70: Setting the LD random seed to -1644200910
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -68554,7 +68593,7 @@
 70: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 70: 
 70: This run will generate roughly 0 Mb of data
-70: [       OK ] BondedInteractionsTest.TabulatedBondWorks (6 ms)
+70: [       OK ] BondedInteractionsTest.TabulatedBondWorks (10 ms)
 70: [ RUN      ] BondedInteractionsTest.NormalAngleWorks
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalAngleWorks_input.mdp]:
@@ -68594,15 +68633,15 @@
 70: Reading frames from gro file 'A single butane', 4 atoms.
 70: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 70: 
-70: NOTE: 26 % of the run time was spent in domain decomposition,
-70:       15 % of the run time was spent in pair search,
+70: NOTE: 21 % of the run time was spent in domain decomposition,
+70:       12 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.000      377.7
+70:        Time:        0.002        0.000      374.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:      265.583        0.090
-70: Setting the LD random seed to -151000581
+70: Performance:      196.576        0.122
+70: Setting the LD random seed to -1225787925
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -68611,7 +68650,7 @@
 70: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 70: 
 70: This run will generate roughly 0 Mb of data
-70: [       OK ] BondedInteractionsTest.NormalAngleWorks (5 ms)
+70: [       OK ] BondedInteractionsTest.NormalAngleWorks (9 ms)
 70: [ RUN      ] BondedInteractionsTest.TabulatedAngleWorks
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedAngleWorks_input.mdp]:
@@ -68651,15 +68690,15 @@
 70: Reading frames from gro file 'A single butane', 4 atoms.
 70: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 70: 
-70: NOTE: 25 % of the run time was spent in domain decomposition,
-70:       13 % of the run time was spent in pair search,
+70: NOTE: 15 % of the run time was spent in domain decomposition,
+70:       5 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.000      377.1
+70:        Time:        0.004        0.001      390.4
 70:                  (ns/day)    (hour/ns)
-70: Performance:      321.408        0.075
-70: Setting the LD random seed to -806555713
+70: Performance:       80.692        0.297
+70: Setting the LD random seed to -652218433
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -68668,7 +68707,7 @@
 70: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 70: 
 70: This run will generate roughly 0 Mb of data
-70: [       OK ] BondedInteractionsTest.TabulatedAngleWorks (5 ms)
+70: [       OK ] BondedInteractionsTest.TabulatedAngleWorks (11 ms)
 70: [ RUN      ] BondedInteractionsTest.NormalDihedralWorks
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalDihedralWorks_input.mdp]:
@@ -68708,15 +68747,15 @@
 70: Reading frames from gro file 'A single butane', 4 atoms.
 70: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 70: 
-70: NOTE: 24 % of the run time was spent in domain decomposition,
-70:       14 % of the run time was spent in pair search,
+70: NOTE: 22 % of the run time was spent in domain decomposition,
+70:       13 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.000      375.6
+70:        Time:        0.001        0.000      374.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:      304.784        0.079
-70: Setting the LD random seed to -612600586
+70: Performance:      228.420        0.105
+70: Setting the LD random seed to -5260633
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -68725,7 +68764,7 @@
 70: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 70: 
 70: This run will generate roughly 0 Mb of data
-70: [       OK ] BondedInteractionsTest.NormalDihedralWorks (4 ms)
+70: [       OK ] BondedInteractionsTest.NormalDihedralWorks (8 ms)
 70: [ RUN      ] BondedInteractionsTest.TabulatedDihedralWorks
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedDihedralWorks_input.mdp]:
@@ -68765,15 +68804,15 @@
 70: Reading frames from gro file 'A single butane', 4 atoms.
 70: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 70: 
-70: NOTE: 22 % of the run time was spent in domain decomposition,
-70:       13 % of the run time was spent in pair search,
+70: NOTE: 21 % of the run time was spent in domain decomposition,
+70:       12 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
 70:                Core t (s)   Wall t (s)        (%)
 70:        Time:        0.001        0.000      375.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:      314.846        0.076
-70: Setting the LD random seed to -419431001
+70: Performance:      260.711        0.092
+70: Setting the LD random seed to 2130401087
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -68782,8 +68821,8 @@
 70: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 70: 
 70: This run will generate roughly 0 Mb of data
-70: [       OK ] BondedInteractionsTest.TabulatedDihedralWorks (5 ms)
-70: [----------] 6 tests from BondedInteractionsTest (33 ms total)
+70: [       OK ] BondedInteractionsTest.TabulatedDihedralWorks (7 ms)
+70: [----------] 6 tests from BondedInteractionsTest (57 ms total)
 70: 
 70: [----------] 2 tests from BoxDeformationTest
 70: [ RUN      ] BoxDeformationTest.flowDoesNotAffectEkin
@@ -68818,27 +68857,27 @@
 70: starting mdrun 'Argon'
 70: 0 steps,      0.0 ps.
 70: 
-70: NOTE: 26 % of the run time was spent in domain decomposition,
-70:       20 % of the run time was spent in pair search,
+70: NOTE: 24 % of the run time was spent in domain decomposition,
+70:       22 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.000      297.3
+70:        Time:        0.001        0.000      306.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:      801.743        0.030
+70: Performance:      725.138        0.033
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_flowDoesNotAffectEkin.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -134252814
+70: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -184557983
 70: 
 70: Generated 1 of the 1 non-bonded parameter combinations
 70: 
 70: Excluding 1 bonded neighbours molecule type 'Argon'
 70: 
-70: Setting gen_seed to -1798366212
+70: Setting gen_seed to -102537
 70: 
 70: Velocities were taken from a Maxwell distribution at 0 K
 70: 
 70: This run will generate roughly 0 Mb of data
-70: [       OK ] BoxDeformationTest.flowDoesNotAffectEkin (5 ms)
+70: [       OK ] BoxDeformationTest.flowDoesNotAffectEkin (6 ms)
 70: [ RUN      ] BoxDeformationTest.EnergiesWithinTolerances
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_EnergiesWithinTolerances_input.mdp]:
@@ -68866,7 +68905,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'spc2'
 70: 20 steps,      0.0 ps.
-70: Setting the LD random seed to -135005443
+70: Setting the LD random seed to -608182534
 70: 
 70: Generated 330891 of the 330891 non-bonded parameter combinations
 70: 
@@ -68889,18 +68928,18 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 0.4%.
+70:  Average load imbalance: 0.7%.
 70:  The balanceable part of the MD step is 64%, load imbalance is computed from this.
-70:  Part of the total run time spent waiting due to load imbalance: 0.3%.
+70:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 70: 
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.089        0.022      399.0
+70:        Time:        0.090        0.023      399.0
 70:                  (ns/day)    (hour/ns)
-70: Performance:      162.180        0.148
+70: Performance:      160.295        0.150
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_EnergiesWithinTolerances.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Reading energy frame      2 time    0.040         
Last energy frame read 2 time    0.040         [       OK ] BoxDeformationTest.EnergiesWithinTolerances (1303 ms)
-70: [----------] 2 tests from BoxDeformationTest (1309 ms total)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Reading energy frame      2 time    0.040         
Last energy frame read 2 time    0.040         [       OK ] BoxDeformationTest.EnergiesWithinTolerances (1304 ms)
+70: [----------] 2 tests from BoxDeformationTest (1311 ms total)
 70: 
 70: [----------] 1 test from PositionRestraintCommTest
 70: [ RUN      ] PositionRestraintCommTest.PositionRestraintsTwoCOMs
@@ -68949,7 +68988,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'Channel_coco in octane membrane'
 70: 10 steps,      0.0 ps.
-70: Setting the LD random seed to -145752211
+70: Setting the LD random seed to 1602224110
 70: 
 70: Generated 330891 of the 330891 non-bonded parameter combinations
 70: 
@@ -68991,16 +69030,16 @@
 70: NOTE: 11 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
-70: NOTE: 10 % of the run time was spent communicating energies,
+70: NOTE: 12 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.498        0.125      399.7
+70:        Time:        0.519        0.130      399.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:       15.258        1.573
+70: Performance:       14.637        1.640
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PositionRestraintCommTest_PositionRestraintsTwoCOMs.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Last energy frame read 1 time    0.020         [       OK ] PositionRestraintCommTest.PositionRestraintsTwoCOMs (324 ms)
-70: [----------] 1 test from PositionRestraintCommTest (324 ms total)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Last energy frame read 1 time    0.020         [       OK ] PositionRestraintCommTest.PositionRestraintsTwoCOMs (326 ms)
+70: [----------] 1 test from PositionRestraintCommTest (326 ms total)
 70: 
 70: [----------] 2 tests from MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest
 70: [ RUN      ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/0
@@ -69038,7 +69077,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'UNNAMED in water'
 70: 4 steps,      0.0 ps.
-70: Setting the LD random seed to 1052125727
+70: Setting the LD random seed to -19185732
 70: 
 70: Generated 2211 of the 2211 non-bonded parameter combinations
 70: 
@@ -69060,13 +69099,13 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 15 % of the run time was spent communicating energies,
+70: NOTE: 10 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.012        0.003      381.3
+70:        Time:        0.009        0.002      389.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:      142.656        0.168
+70: Performance:      192.106        0.125
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_input.mdp]:
 70:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
@@ -69101,7 +69140,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'UNNAMED in water'
 70: 4 steps,      0.0 ps.
-70: Setting the LD random seed to -549453826
+70: Setting the LD random seed to -1095404611
 70: 
 70: Generated 2211 of the 2211 non-bonded parameter combinations
 70: 
@@ -69123,13 +69162,13 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 21 % of the run time was spent communicating energies,
+70: NOTE: 22 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.010        0.003      381.6
+70:        Time:        0.011        0.003      375.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:      168.647        0.142
+70: Performance:      153.619        0.156
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim1.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
 70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         trr version: GMX_trn_file (single precision)
@@ -69137,7 +69176,7 @@
 70: 
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim1.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/0 (23673 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/0 (23923 ms)
 70: [ RUN      ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/1
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_input.mdp]:
@@ -69173,7 +69212,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'UNNAMED in water'
 70: 4 steps,      0.0 ps.
-70: Setting the LD random seed to -137462347
+70: Setting the LD random seed to -41950337
 70: 
 70: Generated 2211 of the 2211 non-bonded parameter combinations
 70: 
@@ -69195,13 +69234,14 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 16 % of the run time was spent communicating energies,
-70:       you might want to increase some nst* mdp options
+70: NOTE: 14 % of the run time was spent in domain decomposition,
+70:       1 % of the run time was spent in pair search,
+70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.011        0.003      383.7
+70:        Time:        0.061        0.015      396.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:      145.502        0.165
+70: Performance:       27.966        0.858
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_input.mdp]:
 70:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
@@ -69238,7 +69278,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'UNNAMED in water'
 70: 4 steps,      0.0 ps.
-70: Setting the LD random seed to 826275736
+70: Setting the LD random seed to -1760985169
 70: 
 70: Generated 2211 of the 2211 non-bonded parameter combinations
 70: 
@@ -69260,21 +69300,21 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 23 % of the run time was spent communicating energies,
+70: NOTE: 20 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.010        0.003      384.3
+70:        Time:        0.009        0.002      381.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:      161.521        0.149
+70: Performance:      186.050        0.129
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim1.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim2.edr as single precision energy file
 70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
 70: 
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim1.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim2.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/1 (67 ms)
-70: [----------] 2 tests from MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest (23740 ms total)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/1 (86 ms)
+70: [----------] 2 tests from MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest (24010 ms total)
 70: 
 70: [----------] 1 test from MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest
 70: [ RUN      ] MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest.WithinTolerances/0
@@ -69305,7 +69345,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'spc2'
 70: 4 steps,      0.0 ps.
-70: Setting the LD random seed to -23102487
+70: Setting the LD random seed to -33785377
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -69321,13 +69361,13 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 32 % of the run time was spent communicating energies,
+70: NOTE: 28 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.005        0.001      378.5
+70:        Time:        0.004        0.001      370.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:      314.600        0.076
+70: Performance:      415.439        0.058
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_input.mdp]:
 70:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
@@ -69357,7 +69397,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'spc2'
 70: 4 steps,      0.0 ps.
-70: Setting the LD random seed to -453050565
+70: Setting the LD random seed to -17138706
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -69373,13 +69413,13 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 29 % of the run time was spent communicating energies,
+70: NOTE: 30 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.004        0.001      373.7
+70:        Time:        0.004        0.001      373.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:      441.398        0.054
+70: Performance:      368.393        0.065
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim1.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
 70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
@@ -69468,31 +69508,27 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 23.7%.
-70:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
-70:  Part of the total run time spent waiting due to load imbalance: 10.2%.
+70:  Average load imbalance: 13.6%.
+70:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+70:  Part of the total run time spent waiting due to load imbalance: 6.0%.
 70: 
-70: NOTE: 10.2 % of the available CPU time was lost due to load imbalance
+70: NOTE: 6.0 % of the available CPU time was lost due to load imbalance
 70:       in the domain decomposition.
 70:       Dynamic load balancing was automatically disabled, but it might be beneficial to manually turn it on (option -dlb yes.)
 70:       You can also consider manually changing the decomposition (option -dd);
 70:       e.g. by using fewer domains along the box dimension in which there is
 70:       considerable inhomogeneity in the simulated system.
 70: 
-70: NOTE: 13 % of the run time was spent in domain decomposition,
-70:       5 % of the run time was spent in pair search,
-70:       you might want to increase nstlist (this has no effect on accuracy)
-70: 
-70: NOTE: 19 % of the run time was spent communicating energies,
+70: NOTE: 18 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.006        0.001      385.0
+70:        Time:        0.014        0.005      299.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:      537.579        0.045
+70: Performance:      169.998        0.141
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/0 (13 ms)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/0 (19 ms)
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/1
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_1_input.mdp]:
@@ -69570,31 +69606,31 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 27.2%.
+70:  Average load imbalance: 23.1%.
 70:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
-70:  Part of the total run time spent waiting due to load imbalance: 11.3%.
+70:  Part of the total run time spent waiting due to load imbalance: 9.7%.
 70: 
-70: NOTE: 11.3 % of the available CPU time was lost due to load imbalance
+70: NOTE: 9.7 % of the available CPU time was lost due to load imbalance
 70:       in the domain decomposition.
 70:       Dynamic load balancing was automatically disabled, but it might be beneficial to manually turn it on (option -dlb yes.)
 70:       You can also consider manually changing the decomposition (option -dd);
 70:       e.g. by using fewer domains along the box dimension in which there is
 70:       considerable inhomogeneity in the simulated system.
 70: 
-70: NOTE: 13 % of the run time was spent in domain decomposition,
-70:       5 % of the run time was spent in pair search,
+70: NOTE: 11 % of the run time was spent in domain decomposition,
+70:       4 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
-70: NOTE: 17 % of the run time was spent communicating energies,
+70: NOTE: 22 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.005        0.001      382.8
+70:        Time:        0.009        0.002      365.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:      568.947        0.042
+70: Performance:      324.494        0.074
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/1 (11 ms)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/1 (24 ms)
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/2
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_2_input.mdp]:
@@ -69673,31 +69709,31 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 23.5%.
-70:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
-70:  Part of the total run time spent waiting due to load imbalance: 10.2%.
+70:  Average load imbalance: 34.6%.
+70:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
+70:  Part of the total run time spent waiting due to load imbalance: 15.1%.
 70: 
-70: NOTE: 10.2 % of the available CPU time was lost due to load imbalance
+70: NOTE: 15.1 % of the available CPU time was lost due to load imbalance
 70:       in the domain decomposition.
 70:       Dynamic load balancing was automatically disabled, but it might be beneficial to manually turn it on (option -dlb yes.)
 70:       You can also consider manually changing the decomposition (option -dd);
 70:       e.g. by using fewer domains along the box dimension in which there is
 70:       considerable inhomogeneity in the simulated system.
 70: 
-70: NOTE: 13 % of the run time was spent in domain decomposition,
+70: NOTE: 12 % of the run time was spent in domain decomposition,
 70:       5 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
-70: NOTE: 17 % of the run time was spent communicating energies,
+70: NOTE: 18 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.005        0.001      385.3
+70:        Time:        0.007        0.002      381.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:      583.451        0.041
+70: Performance:      432.415        0.056
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/2 (11 ms)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/2 (17 ms)
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/3
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_3_input.mdp]:
@@ -69776,8 +69812,8 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 21.4%.
-70:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
+70:  Average load imbalance: 20.8%.
+70:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
 70:  Part of the total run time spent waiting due to load imbalance: 9.6%.
 70: 
 70: NOTE: 9.6 % of the available CPU time was lost due to load imbalance
@@ -69787,20 +69823,20 @@
 70:       e.g. by using fewer domains along the box dimension in which there is
 70:       considerable inhomogeneity in the simulated system.
 70: 
-70: NOTE: 13 % of the run time was spent in domain decomposition,
-70:       6 % of the run time was spent in pair search,
+70: NOTE: 12 % of the run time was spent in domain decomposition,
+70:       5 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
-70: NOTE: 15 % of the run time was spent communicating energies,
+70: NOTE: 18 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.005        0.001      387.6
+70:        Time:        0.006        0.002      383.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:      555.289        0.043
+70: Performance:      488.869        0.049
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/3 (11 ms)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/3 (16 ms)
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/4
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_4_input.mdp]:
@@ -69878,31 +69914,27 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 21.5%.
-70:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-70:  Part of the total run time spent waiting due to load imbalance: 10.2%.
+70:  Average load imbalance: 21.1%.
+70:  The balanceable part of the MD step is 26%, load imbalance is computed from this.
+70:  Part of the total run time spent waiting due to load imbalance: 5.5%.
 70: 
-70: NOTE: 10.2 % of the available CPU time was lost due to load imbalance
+70: NOTE: 5.5 % of the available CPU time was lost due to load imbalance
 70:       in the domain decomposition.
 70:       Dynamic load balancing was automatically disabled, but it might be beneficial to manually turn it on (option -dlb yes.)
 70:       You can also consider manually changing the decomposition (option -dd);
 70:       e.g. by using fewer domains along the box dimension in which there is
 70:       considerable inhomogeneity in the simulated system.
 70: 
-70: NOTE: 12 % of the run time was spent in domain decomposition,
-70:       5 % of the run time was spent in pair search,
-70:       you might want to increase nstlist (this has no effect on accuracy)
-70: 
-70: NOTE: 18 % of the run time was spent communicating energies,
+70: NOTE: 13 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.006        0.001      386.0
+70:        Time:        0.009        0.002      387.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:      538.600        0.045
+70: Performance:      321.488        0.075
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/4 (10 ms)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/4 (16 ms)
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/5
 70: ./src/programs/mdrun/tests/freezegroups.cpp:209: Skipped
 70: Parrinello-Rahman is not implemented in md-vv.
@@ -69977,16 +70009,16 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 15 % of the run time was spent communicating energies,
+70: NOTE: 16 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.005        0.001      386.2
+70:        Time:        0.005        0.001      385.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:      636.140        0.038
+70: Performance:      602.474        0.040
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/6 (17 ms)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/6 (21 ms)
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/7
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_7_input.mdp]:
@@ -70057,16 +70089,16 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 16 % of the run time was spent communicating energies,
+70: NOTE: 23 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.005        0.001      386.1
+70:        Time:        0.008        0.002      381.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:      623.016        0.039
+70: Performance:      388.481        0.062
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/7 (17 ms)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/7 (30 ms)
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/8
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_8_input.mdp]:
@@ -70137,16 +70169,16 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 15 % of the run time was spent communicating energies,
+70: NOTE: 27 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.005        0.001      385.1
+70:        Time:        0.006        0.002      376.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:      651.126        0.037
+70: Performance:      488.979        0.049
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/8 (17 ms)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/8 (32 ms)
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/9
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_9_input.mdp]:
@@ -70215,16 +70247,16 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 18 % of the run time was spent communicating energies,
+70: NOTE: 20 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.004        0.001      381.3
+70:        Time:        0.005        0.001      382.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:      699.141        0.034
+70: Performance:      646.736        0.037
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/9 (52 ms)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/9 (63 ms)
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/10
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_10_input.mdp]:
@@ -70293,16 +70325,16 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 19 % of the run time was spent communicating energies,
+70: NOTE: 21 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.004        0.001      382.2
+70:        Time:        0.004        0.001      364.0
 70:                  (ns/day)    (hour/ns)
-70: Performance:      782.414        0.031
+70: Performance:      661.896        0.036
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/10 (49 ms)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/10 (30 ms)
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/11
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_11_input.mdp]:
@@ -70371,17 +70403,17 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 19 % of the run time was spent communicating energies,
+70: NOTE: 18 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.004        0.001      382.9
+70:        Time:        0.005        0.001      385.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:      749.251        0.032
+70: Performance:      560.009        0.043
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/11 (45 ms)
-70: [----------] 12 tests from FreezeWorks/FreezeGroupTest (258 ms total)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/11 (55 ms)
+70: [----------] 12 tests from FreezeWorks/FreezeGroupTest (329 ms total)
 70: 
 70: [----------] 4 tests from AccelerationWorks/AccelerationGroupTest
 70: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/0
@@ -70427,7 +70459,7 @@
 70: 
 70: Excluding 2 bonded neighbours molecule type 'SOL'
 70: 
-70: Setting gen_seed to -1073742982
+70: Setting gen_seed to -37891206
 70: 
 70: Velocities were taken from a Maxwell distribution at 0 K
 70: 
@@ -70438,24 +70470,24 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 8.1%.
-70:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
-70:  Part of the total run time spent waiting due to load imbalance: 3.4%.
+70:  Average load imbalance: 6.4%.
+70:  The balanceable part of the MD step is 40%, load imbalance is computed from this.
+70:  Part of the total run time spent waiting due to load imbalance: 2.5%.
 70: 
 70: 
 70: NOTE: 15 % of the run time was spent in domain decomposition,
-70:       7 % of the run time was spent in pair search,
+70:       8 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
 70: NOTE: 19 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.001      382.1
+70:        Time:        0.004        0.001      383.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1754.433        0.014
+70: Performance:     1414.197        0.017
 70: 
-70: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/0 (5 ms)
+70: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/0 (26 ms)
 70: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/1
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/AccelerationWorks_AccelerationGroupTest_WithinTolerances_1_input.mdp]:
@@ -70498,7 +70530,7 @@
 70: 
 70: Excluding 2 bonded neighbours molecule type 'SOL'
 70: 
-70: Setting gen_seed to -9541633
+70: Setting gen_seed to -27852809
 70: 
 70: Velocities were taken from a Maxwell distribution at 0 K
 70: 
@@ -70509,9 +70541,9 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 9.1%.
-70:  The balanceable part of the MD step is 40%, load imbalance is computed from this.
-70:  Part of the total run time spent waiting due to load imbalance: 3.6%.
+70:  Average load imbalance: 5.5%.
+70:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
+70:  Part of the total run time spent waiting due to load imbalance: 2.7%.
 70: 
 70: 
 70: NOTE: 14 % of the run time was spent in domain decomposition,
@@ -70522,11 +70554,11 @@
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.004        0.001      383.7
+70:        Time:        0.004        0.001      380.0
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1698.251        0.014
+70: Performance:     1427.348        0.017
 70: 
-70: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/1 (5 ms)
+70: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/1 (6 ms)
 70: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/2
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/AccelerationWorks_AccelerationGroupTest_WithinTolerances_2_input.mdp]:
@@ -70570,7 +70602,7 @@
 70: 
 70: Excluding 2 bonded neighbours molecule type 'SOL'
 70: 
-70: Setting gen_seed to 1573905722
+70: Setting gen_seed to -209764611
 70: 
 70: Velocities were taken from a Maxwell distribution at 0 K
 70: 
@@ -70581,22 +70613,22 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 5.5%.
+70:  Average load imbalance: 6.4%.
 70:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-70:  Part of the total run time spent waiting due to load imbalance: 2.6%.
+70:  Part of the total run time spent waiting due to load imbalance: 3.0%.
 70: 
 70: 
-70: NOTE: 13 % of the run time was spent in domain decomposition,
+70: NOTE: 14 % of the run time was spent in domain decomposition,
 70:       7 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
-70: NOTE: 19 % of the run time was spent communicating energies,
+70: NOTE: 18 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.004        0.001      383.9
+70:        Time:        0.004        0.001      384.4
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1654.739        0.015
+70: Performance:     1525.487        0.016
 70: 
 70: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/2 (5 ms)
 70: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/3
@@ -70641,7 +70673,7 @@
 70: 
 70: Excluding 2 bonded neighbours molecule type 'SOL'
 70: 
-70: Setting gen_seed to 1056931327
+70: Setting gen_seed to 930529190
 70: 
 70: Velocities were taken from a Maxwell distribution at 0 K
 70: 
@@ -70652,32 +70684,32 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 5.8%.
-70:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-70:  Part of the total run time spent waiting due to load imbalance: 2.8%.
+70:  Average load imbalance: 8.5%.
+70:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
+70:  Part of the total run time spent waiting due to load imbalance: 4.4%.
 70: 
 70: 
-70: NOTE: 11 % of the run time was spent in domain decomposition,
+70: NOTE: 13 % of the run time was spent in domain decomposition,
 70:       6 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
-70: NOTE: 17 % of the run time was spent communicating energies,
+70: NOTE: 19 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.004        0.001      385.7
+70:        Time:        0.004        0.001      385.0
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1354.018        0.018
+70: Performance:     1404.604        0.017
 70: 
-70: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/3 (5 ms)
-70: [----------] 4 tests from AccelerationWorks/AccelerationGroupTest (23 ms total)
+70: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/3 (6 ms)
+70: [----------] 4 tests from AccelerationWorks/AccelerationGroupTest (44 ms total)
 70: 
 70: [----------] Global test environment tear-down
-70: [==========] 29 tests from 8 test suites ran. (26237 ms total)
+70: [==========] 29 tests from 8 test suites ran. (26664 ms total)
 70: [  PASSED  ] 28 tests.
 70: [  SKIPPED ] 1 test, listed below:
 70: [  SKIPPED ] FreezeWorks/FreezeGroupTest.WithinTolerances/5
-70/92 Test #70: MdrunTestsTwoRanks ........................   Passed   26.26 sec
+70/92 Test #70: MdrunTestsTwoRanks ........................   Passed   26.69 sec
 test 71
       Start 71: MdrunSingleRankAlgorithmsTests
 
@@ -70719,7 +70751,7 @@
 71:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 71: starting mdrun 'Alanine dipeptide in vacuo'
 71: 200 steps,      0.4 ps.
-71: Setting the LD random seed to -8651269
+71: Setting the LD random seed to 1337947879
 71: 
 71: Generated 2145 of the 2145 non-bonded parameter combinations
 71: 
@@ -70754,11 +70786,11 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.020        0.010      198.9
+71:        Time:        0.021        0.011      199.0
 71:                  (ns/day)    (hour/ns)
-71: Performance:     3388.299        0.007
-71: [       OK ] DispersionCorrectionTest.DispersionCorrectionCanRun (53 ms)
-71: [----------] 1 test from DispersionCorrectionTest (53 ms total)
+71: Performance:     3289.525        0.007
+71: [       OK ] DispersionCorrectionTest.DispersionCorrectionCanRun (55 ms)
+71: [----------] 1 test from DispersionCorrectionTest (55 ms total)
 71: 
 71: [----------] 1 test from OriresTest
 71: [ RUN      ] OriresTest.OriresCanRun
@@ -70787,7 +70819,7 @@
 71:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 71: starting mdrun 'GUANINE NUCLEOTIDE-BINDING PROTEIN G(T), ALPHA-1'
 71: 10 steps,      0.0 ps.
-71: Setting the LD random seed to 2009865019
+71: Setting the LD random seed to 800677467
 71: 
 71: Generated 2145 of the 2145 non-bonded parameter combinations
 71: 
@@ -70816,9 +70848,9 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.006        0.003      197.3
+71:        Time:        0.006        0.003      197.1
 71:                  (ns/day)    (hour/ns)
-71: Performance:      586.604        0.041
+71: Performance:      579.441        0.041
 71: [       OK ] OriresTest.OriresCanRun (253 ms)
 71: [----------] 1 test from OriresTest (253 ms total)
 71: 
@@ -70852,7 +70884,7 @@
 71:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 71: starting mdrun 'Dipoles'
 71: 20 steps,      0.1 ps.
-71: Setting the LD random seed to -704651906
+71: Setting the LD random seed to -827393
 71: 
 71: Generated 1 of the 1 non-bonded parameter combinations
 71: 
@@ -70873,13 +70905,13 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.019        0.010      199.0
+71:        Time:        0.020        0.010      199.1
 71:                  (ns/day)    (hour/ns)
-71: Performance:      468.109        0.051
+71: Performance:      457.615        0.052
 71: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/EwaldSurfaceTerm_EwaldSurfaceTermTest_WithinTolerances_0.edr as single precision energy file
 71: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.010         
Reading energy frame      2 time    0.020         
Reading energy frame      3 time    0.030         
Reading energy frame      4 time    0.040         
Reading energy frame      5 time    0.050         
Last energy frame read 5 time    0.050         trr version: GMX_trn_file (single precision)
 71: 
-71: [       OK ] EwaldSurfaceTerm/EwaldSurfaceTermTest.WithinTolerances/0 (40119 ms)
+71: [       OK ] EwaldSurfaceTerm/EwaldSurfaceTermTest.WithinTolerances/0 (42038 ms)
 71: [ RUN      ] EwaldSurfaceTerm/EwaldSurfaceTermTest.WithinTolerances/1
 71: Test system 'epsilon-surface-constraint' cannot run with 1 ranks.
 71: The supported numbers are > 1.
@@ -70923,7 +70955,7 @@
 71:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 71: starting mdrun 'Dipoles'
 71: 20 steps,      0.1 ps.
-71: Setting the LD random seed to -237626241
+71: Setting the LD random seed to -281346050
 71: 
 71: Generated 1 of the 1 non-bonded parameter combinations
 71: 
@@ -70941,23 +70973,19 @@
 71: 
 71: Writing final coordinates.
 71: 
-71: NOTE: 10 % of the run time was spent in domain decomposition,
-71:       4 % of the run time was spent in pair search,
-71:       you might want to increase nstlist (this has no effect on accuracy)
-71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.210        0.105      199.9
+71:        Time:        0.010        0.005      198.5
 71:                  (ns/day)    (hour/ns)
-71: Performance:       43.095        0.557
+71: Performance:      878.404        0.027
 71: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/EwaldSurfaceTerm_EwaldSurfaceTermTest_WithinTolerances_2.edr as single precision energy file
 71: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.010         
Reading energy frame      2 time    0.020         
Reading energy frame      3 time    0.030         
Reading energy frame      4 time    0.040         
Reading energy frame      5 time    0.050         
Last energy frame read 5 time    0.050         
-71: [       OK ] EwaldSurfaceTerm/EwaldSurfaceTermTest.WithinTolerances/2 (18910 ms)
-71: [----------] 3 tests from EwaldSurfaceTerm/EwaldSurfaceTermTest (59029 ms total)
+71: [       OK ] EwaldSurfaceTerm/EwaldSurfaceTermTest.WithinTolerances/2 (16454 ms)
+71: [----------] 3 tests from EwaldSurfaceTerm/EwaldSurfaceTermTest (58493 ms total)
 71: 
 71: [----------] Global test environment tear-down
-71: [==========] 5 tests from 3 test suites ran. (59367 ms total)
+71: [==========] 5 tests from 3 test suites ran. (58850 ms total)
 71: [  PASSED  ] 5 tests.
-71/92 Test #71: MdrunSingleRankAlgorithmsTests ............   Passed   59.39 sec
+71/92 Test #71: MdrunSingleRankAlgorithmsTests ............   Passed   58.87 sec
 test 72
       Start 72: Minimize1RankTests
 
@@ -71028,7 +71056,7 @@
 72: Excluding 2 bonded neighbours molecule type 'SOL'
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (253 ms)
+72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (150 ms)
 72: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
@@ -71093,7 +71121,7 @@
 72: Excluding 2 bonded neighbours molecule type 'SOL'
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (270 ms)
+72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (142 ms)
 72: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
@@ -71158,7 +71186,7 @@
 72: turning H bonds into constraints...
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (84 ms)
+72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (48 ms)
 72: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]:
@@ -71230,7 +71258,7 @@
 72: turning H bonds into constraints...
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (124 ms)
+72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (47 ms)
 72: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]:
@@ -71311,7 +71339,7 @@
 72: Converted   15      Constraints with virtual sites to connections, 7 left
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (117 ms)
+72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (8 ms)
 72: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]:
@@ -71399,8 +71427,8 @@
 72: Converted   15      Constraints with virtual sites to connections, 7 left
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (158 ms)
-72: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (1014 ms total)
+72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (8 ms)
+72: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (405 ms total)
 72: 
 72: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest
 72: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0
@@ -71452,7 +71480,7 @@
 72: Excluding 1 bonded neighbours molecule type 'Argon'
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (17 ms)
+72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (3 ms)
 72: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
@@ -71505,7 +71533,7 @@
 72: Excluding 1 bonded neighbours molecule type 'Argon'
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 (19 ms)
+72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 (3 ms)
 72: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
@@ -71568,7 +71596,7 @@
 72: Excluding 1 bonded neighbours molecule type 'Argon'
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (16 ms)
+72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (3 ms)
 72: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_input.mdp]:
@@ -71631,7 +71659,7 @@
 72: Excluding 3 bonded neighbours molecule type 'Glycine'
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (131 ms)
+72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (48 ms)
 72: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]:
@@ -71697,7 +71725,7 @@
 72: Excluding 3 bonded neighbours molecule type 'Glycine'
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (81 ms)
+72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (48 ms)
 72: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]:
@@ -71781,13 +71809,13 @@
 72: Excluding 3 bonded neighbours molecule type 'Glycine'
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (82 ms)
-72: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (349 ms total)
+72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (48 ms)
+72: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (156 ms total)
 72: 
 72: [----------] Global test environment tear-down
-72: [==========] 12 tests from 2 test suites ran. (1383 ms total)
+72: [==========] 12 tests from 2 test suites ran. (575 ms total)
 72: [  PASSED  ] 12 tests.
-72/92 Test #72: Minimize1RankTests ........................   Passed    1.41 sec
+72/92 Test #72: Minimize1RankTests ........................   Passed    0.59 sec
 test 73
       Start 73: Minimize2RankTests
 
@@ -71858,7 +71886,7 @@
 73: Excluding 2 bonded neighbours molecule type 'SOL'
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (482 ms)
+73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (178 ms)
 73: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1
 73: 
 73: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
@@ -71923,7 +71951,7 @@
 73: Excluding 2 bonded neighbours molecule type 'SOL'
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (442 ms)
+73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (163 ms)
 73: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2
 73: 
 73: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
@@ -71988,7 +72016,7 @@
 73: turning H bonds into constraints...
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (107 ms)
+73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (80 ms)
 73: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3
 73: 
 73: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]:
@@ -72060,7 +72088,7 @@
 73: turning H bonds into constraints...
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (178 ms)
+73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (49 ms)
 73: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4
 73: 
 73: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]:
@@ -72141,7 +72169,7 @@
 73: Converted   15      Constraints with virtual sites to connections, 7 left
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (51 ms)
+73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (9 ms)
 73: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5
 73: 
 73: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]:
@@ -72229,8 +72257,8 @@
 73: Converted   15      Constraints with virtual sites to connections, 7 left
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (35 ms)
-73: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (1299 ms total)
+73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (10 ms)
+73: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (491 ms total)
 73: 
 73: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest
 73: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0
@@ -72282,7 +72310,7 @@
 73: Excluding 1 bonded neighbours molecule type 'Argon'
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (53 ms)
+73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (4 ms)
 73: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1
 73: 
 73: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
@@ -72335,7 +72363,7 @@
 73: Excluding 1 bonded neighbours molecule type 'Argon'
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 (95 ms)
+73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 (4 ms)
 73: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2
 73: 
 73: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
@@ -72370,7 +72398,7 @@
 73: Excluding 1 bonded neighbours molecule type 'Argon'
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (7 ms)
+73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (2 ms)
 73: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3
 73: 
 73: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_input.mdp]:
@@ -72433,7 +72461,7 @@
 73: Excluding 3 bonded neighbours molecule type 'Glycine'
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (197 ms)
+73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (49 ms)
 73: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4
 73: 
 73: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]:
@@ -72499,7 +72527,7 @@
 73: Excluding 3 bonded neighbours molecule type 'Glycine'
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (273 ms)
+73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (48 ms)
 73: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5
 73: 
 73: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]:
@@ -72544,13 +72572,13 @@
 73: Excluding 3 bonded neighbours molecule type 'Glycine'
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (83 ms)
-73: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (717 ms total)
+73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (45 ms)
+73: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (155 ms total)
 73: 
 73: [----------] Global test environment tear-down
-73: [==========] 12 tests from 2 test suites ran. (2043 ms total)
+73: [==========] 12 tests from 2 test suites ran. (663 ms total)
 73: [  PASSED  ] 12 tests.
-73/92 Test #73: Minimize2RankTests ........................   Passed    2.07 sec
+73/92 Test #73: Minimize2RankTests ........................   Passed    0.68 sec
 test 74
       Start 74: MdrunNonIntegratorTests
 
@@ -72571,9 +72599,9 @@
 74: 
 74: Coulomb LJ   comb. SIMD    Mcycles  Mcycles/it.   pairs/cycle
 74:                                                 total    useful
-74: Ewald   all  geom. 4xM       0.216     0.2162   5.5047   2.9122
-74: [       OK ] NonbondedBenchTest.BasicEndToEndTest (27 ms)
-74: [----------] 1 test from NonbondedBenchTest (29 ms total)
+74: Ewald   all  geom. 4xM       0.116     0.1165  10.2189   5.4062
+74: [       OK ] NonbondedBenchTest.BasicEndToEndTest (14 ms)
+74: [----------] 1 test from NonbondedBenchTest (14 ms total)
 74: 
 74: [----------] 12 tests from NormalMdrunIsReproduced/MdrunRerunTest
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/0
@@ -72626,9 +72654,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.011        0.006      197.8
+74:        Time:        0.002        0.001      194.8
 74:                  (ns/day)    (hour/ns)
-74: Performance:      265.508        0.090
+74: Performance:     1249.107        0.019
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -72644,18 +72672,18 @@
 74: trr version: GMX_trn_file (single precision)
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 15 % of the run time was spent in pair search,
+74: NOTE: 31 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.001        0.001      193.0
+74:        Time:        0.001        0.000      193.4
 74:                  (ns/day)    (hour/ns)
-74: Performance:     2819.494        0.009
+74: Performance:     3862.441        0.006
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/0 (18 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/0 (7 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/1
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_input.mdp]:
@@ -72706,9 +72734,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.003        0.001      196.9
+74:        Time:        0.002        0.001      195.9
 74:                  (ns/day)    (hour/ns)
-74: Performance:      981.455        0.024
+74: Performance:     1482.694        0.016
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -72723,18 +72751,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 16 % of the run time was spent in pair search,
+74: NOTE: 26 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.001        0.000      192.1
+74:        Time:        0.001        0.000      191.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:     3112.983        0.008
+74: Performance:     4691.998        0.005
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/1 (9 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/1 (6 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/2
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_input.mdp]:
@@ -72779,9 +72807,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.007        0.004      198.0
+74:        Time:        0.001        0.001      193.5
 74:                  (ns/day)    (hour/ns)
-74: Performance:      409.587        0.059
+74: Performance:     2054.901        0.012
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Changing nstlist from 8 to 100, rlist from 0.712 to 0.744
 74: 
@@ -72797,18 +72825,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 16 % of the run time was spent in pair search,
+74: NOTE: 26 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.001        0.000      192.0
+74:        Time:        0.001        0.000      192.5
 74:                  (ns/day)    (hour/ns)
-74: Performance:     3052.821        0.008
+74: Performance:     4519.878        0.005
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/2 (22 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/2 (6 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/3
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_input.mdp]:
@@ -72855,9 +72883,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.001        0.001      187.6
+74:        Time:        0.001        0.001      194.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:     2238.588        0.011
+74: Performance:     1998.246        0.012
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 74: 
@@ -72877,14 +72905,14 @@
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.001        0.000      190.8
+74:        Time:        0.001        0.000      192.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:     5442.221        0.004
+74: Performance:     4553.284        0.005
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/3 (12 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/3 (6 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/4
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_input.mdp]:
@@ -72947,9 +72975,9 @@
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.133        0.066      199.9
+74:        Time:        0.002        0.001      192.3
 74:                  (ns/day)    (hour/ns)
-74: Performance:       22.154        1.083
+74: Performance:     1840.082        0.013
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -72964,18 +72992,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 58 % of the run time was spent in pair search,
+74: NOTE: 38 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.042        0.021      199.7
+74:        Time:        0.001        0.000      193.1
 74:                  (ns/day)    (hour/ns)
-74: Performance:       69.971        0.343
+74: Performance:     3682.363        0.007
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/4 (428 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/4 (153 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/5
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_input.mdp]:
@@ -73035,9 +73063,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.165        0.082      199.9
+74:        Time:        0.002        0.001      196.1
 74:                  (ns/day)    (hour/ns)
-74: Performance:       17.836        1.346
+74: Performance:     1282.121        0.019
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -73052,18 +73080,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 59 % of the run time was spent in pair search,
+74: NOTE: 33 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.042        0.021      199.7
+74:        Time:        0.001        0.000      192.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:       70.429        0.341
+74: Performance:     3928.950        0.006
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/5 (270 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/5 (140 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/6
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_input.mdp]:
@@ -73117,9 +73145,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.127        0.063      199.8
+74:        Time:        0.002        0.001      192.8
 74:                  (ns/day)    (hour/ns)
-74: Performance:       23.188        1.035
+74: Performance:     1643.702        0.015
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Changing nstlist from 8 to 100, rlist from 0.735 to 0.831
 74: 
@@ -73135,18 +73163,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 58 % of the run time was spent in pair search,
+74: NOTE: 28 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.049        0.025      199.7
+74:        Time:        0.001        0.000      193.1
 74:                  (ns/day)    (hour/ns)
-74: Performance:       59.649        0.402
+74: Performance:     3443.596        0.007
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/6 (316 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/6 (144 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/7
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_input.mdp]:
@@ -73201,13 +73229,13 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 10 % of the run time was spent in pair search,
+74: NOTE: 16 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.049        0.024      199.5
+74:        Time:        0.002        0.001      194.3
 74:                  (ns/day)    (hour/ns)
-74: Performance:       60.085        0.399
+74: Performance:     1478.070        0.016
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 74: 
@@ -73223,18 +73251,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 24 % of the run time was spent in pair search,
+74: NOTE: 29 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.001        0.000      189.9
+74:        Time:        0.001        0.000      191.9
 74:                  (ns/day)    (hour/ns)
-74: Performance:     4699.156        0.005
+74: Performance:     4326.260        0.006
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/7 (231 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/7 (144 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/8
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_input.mdp]:
@@ -73319,9 +73347,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.003        0.002      194.3
+74:        Time:        0.003        0.002      195.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:      974.161        0.025
+74: Performance:      829.374        0.029
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -73338,18 +73366,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 17 % of the run time was spent in pair search,
+74: NOTE: 24 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.001        0.001      193.3
+74:        Time:        0.001        0.001      194.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:     2227.257        0.011
+74: Performance:     2518.640        0.010
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/8 (16 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/8 (13 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/9
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_input.mdp]:
@@ -73434,9 +73462,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.020        0.010      198.7
+74:        Time:        0.005        0.002      196.5
 74:                  (ns/day)    (hour/ns)
-74: Performance:      146.465        0.164
+74: Performance:      638.668        0.038
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -73453,18 +73481,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 51 % of the run time was spent in pair search,
+74: NOTE: 25 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.066        0.033      199.8
+74:        Time:        0.001        0.001      194.1
 74:                  (ns/day)    (hour/ns)
-74: Performance:       44.568        0.539
+74: Performance:     2672.709        0.009
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/9 (60 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/9 (13 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/10
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_input.mdp]:
@@ -73542,9 +73570,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.215        0.107      199.9
+74:        Time:        0.004        0.002      195.7
 74:                  (ns/day)    (hour/ns)
-74: Performance:       13.680        1.754
+74: Performance:      803.626        0.030
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Changing nstlist from 8 to 80, rlist from 0.748 to 0.865
 74: 
@@ -73562,18 +73590,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 47 % of the run time was spent in pair search,
+74: NOTE: 27 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.070        0.035      199.8
+74:        Time:        0.001        0.001      194.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:       42.096        0.570
+74: Performance:     2036.560        0.012
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/10 (219 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/10 (60 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/11
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_input.mdp]:
@@ -73653,9 +73681,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.548        0.274      200.0
+74:        Time:        0.007        0.003      197.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:        5.363        4.475
+74: Performance:      421.180        0.057
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Changing nstlist from 8 to 25, rlist from 0.729 to 0.81
 74: 
@@ -73673,19 +73701,19 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 22 % of the run time was spent in pair search,
+74: NOTE: 24 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.001        0.001      192.8
+74:        Time:        0.001        0.001      194.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:     2923.870        0.008
+74: Performance:     2204.937        0.011
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/11 (325 ms)
-74: [----------] 12 tests from NormalMdrunIsReproduced/MdrunRerunTest (1933 ms total)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/11 (32 ms)
+74: [----------] 12 tests from NormalMdrunIsReproduced/MdrunRerunTest (729 ms total)
 74: 
 74: [----------] 33 tests from MdrunIsReproduced/MdrunRerunFreeEnergyTest
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/0
@@ -73754,9 +73782,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.005        0.002      195.5
+74:        Time:        0.003        0.002      194.3
 74:                  (ns/day)    (hour/ns)
-74: Performance:      590.831        0.041
+74: Performance:      927.242        0.026
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -73771,15 +73799,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
+74: NOTE: 21 % of the run time was spent in pair search,
+74:       you might want to increase nstlist (this has no effect on accuracy)
+74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.007        0.004      197.4
+74:        Time:        0.001        0.001      193.8
 74:                  (ns/day)    (hour/ns)
-74: Performance:      412.881        0.058
+74: Performance:     2041.284        0.012
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/0 (21 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/0 (13 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/1
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_input.mdp]:
@@ -73846,9 +73877,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.005        0.002      195.6
+74:        Time:        0.003        0.002      194.5
 74:                  (ns/day)    (hour/ns)
-74: Performance:      613.727        0.039
+74: Performance:      937.400        0.026
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -73863,18 +73894,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 14 % of the run time was spent in pair search,
+74: NOTE: 20 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.002        0.001      191.6
+74:        Time:        0.002        0.001      194.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:     1733.425        0.014
+74: Performance:     1577.213        0.015
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/1 (18 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/1 (13 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/2
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_input.mdp]:
@@ -73941,9 +73972,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.005        0.002      195.8
+74:        Time:        0.003        0.002      194.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:      603.566        0.040
+74: Performance:      920.316        0.026
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -73958,18 +73989,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 51 % of the run time was spent in pair search,
+74: NOTE: 20 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.064        0.032      199.7
+74:        Time:        0.001        0.001      192.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:       46.095        0.521
+74: Performance:     1999.544        0.012
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/2 (49 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/2 (13 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/3
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_input.mdp]:
@@ -74035,13 +74066,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 13 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.105        0.052      199.8
+74:        Time:        0.003        0.002      194.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       28.004        0.857
+74: Performance:      881.344        0.027
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -74056,18 +74084,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 55 % of the run time was spent in pair search,
+74: NOTE: 20 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.064        0.032      199.7
+74:        Time:        0.001        0.001      193.5
 74:                  (ns/day)    (hour/ns)
-74: Performance:       46.164        0.520
+74: Performance:     2008.671        0.012
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/3 (108 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/3 (13 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/4
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_input.mdp]:
@@ -74133,13 +74161,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 11 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.181        0.090      199.8
+74:        Time:        0.003        0.002      194.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       16.241        1.478
+74: Performance:      937.543        0.026
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -74154,18 +74179,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 56 % of the run time was spent in pair search,
+74: NOTE: 20 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.030      199.6
+74:        Time:        0.001        0.001      192.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.732        0.483
+74: Performance:     2066.620        0.012
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/4 (143 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/4 (38 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/5
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_input.mdp]:
@@ -74231,13 +74256,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 11 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.180        0.090      199.9
+74:        Time:        0.002        0.001      192.9
 74:                  (ns/day)    (hour/ns)
-74: Performance:       16.310        1.471
+74: Performance:     1150.867        0.021
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -74252,18 +74274,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 56 % of the run time was spent in pair search,
+74: NOTE: 19 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.029      199.7
+74:        Time:        0.001        0.001      191.9
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.910        0.481
+74: Performance:     2560.513        0.009
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/5 (142 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/5 (12 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/6
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_input.mdp]:
@@ -74329,13 +74351,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 11 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.180        0.090      199.9
+74:        Time:        0.003        0.001      193.3
 74:                  (ns/day)    (hour/ns)
-74: Performance:       16.278        1.474
+74: Performance:     1133.712        0.021
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -74350,18 +74369,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 54 % of the run time was spent in pair search,
+74: NOTE: 18 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.030      199.6
+74:        Time:        0.001        0.001      192.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.691        0.483
+74: Performance:     2501.256        0.010
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/6 (143 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/6 (12 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/7
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_input.mdp]:
@@ -74427,13 +74446,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 12 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.165        0.082      199.8
+74:        Time:        0.002        0.001      193.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       17.822        1.347
+74: Performance:     1172.553        0.020
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -74448,18 +74464,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 55 % of the run time was spent in pair search,
+74: NOTE: 20 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.030      199.7
+74:        Time:        0.001        0.001      192.1
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.507        0.485
+74: Performance:     2386.902        0.010
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/7 (136 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/7 (13 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/8
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_input.mdp]:
@@ -74526,9 +74542,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.157        0.078      199.8
+74:        Time:        0.003        0.001      193.7
 74:                  (ns/day)    (hour/ns)
-74: Performance:       18.724        1.282
+74: Performance:     1087.675        0.022
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -74543,18 +74559,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 14 % of the run time was spent in pair search,
+74: NOTE: 16 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.002        0.001      191.2
+74:        Time:        0.003        0.001      193.3
 74:                  (ns/day)    (hour/ns)
-74: Performance:     1668.181        0.014
+74: Performance:     1046.119        0.023
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/8 (100 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/8 (15 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/9
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_input.mdp]:
@@ -74620,13 +74636,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 11 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.180        0.090      199.9
+74:        Time:        0.006        0.003      193.5
 74:                  (ns/day)    (hour/ns)
-74: Performance:       16.290        1.473
+74: Performance:      496.222        0.048
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -74641,18 +74654,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 55 % of the run time was spent in pair search,
+74: NOTE: 17 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.029      199.7
+74:        Time:        0.002        0.001      193.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       50.115        0.479
+74: Performance:     1211.285        0.020
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/9 (145 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/9 (32 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/10
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_input.mdp]:
@@ -74718,13 +74731,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 11 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.182        0.091      199.8
+74:        Time:        0.004        0.002      193.3
 74:                  (ns/day)    (hour/ns)
-74: Performance:       16.113        1.489
+74: Performance:      707.951        0.034
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -74739,18 +74749,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 55 % of the run time was spent in pair search,
+74: NOTE: 17 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.030      199.7
+74:        Time:        0.002        0.001      193.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.456        0.485
+74: Performance:     1566.385        0.015
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/10 (146 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/10 (23 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/11
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_input.mdp]:
@@ -74816,13 +74826,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 11 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.120        0.060      199.9
+74:        Time:        0.005        0.003      197.3
 74:                  (ns/day)    (hour/ns)
-74: Performance:       24.492        0.980
+74: Performance:      529.761        0.045
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -74837,18 +74844,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 54 % of the run time was spent in pair search,
+74: NOTE: 18 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.060        0.030      199.6
+74:        Time:        0.002        0.001      192.9
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.266        0.487
+74: Performance:     1760.673        0.014
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/11 (111 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/11 (20 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/12
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_input.mdp]:
@@ -74915,9 +74922,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.231        0.116      199.9
+74:        Time:        0.006        0.003      197.5
 74:                  (ns/day)    (hour/ns)
-74: Performance:       12.696        1.890
+74: Performance:      513.682        0.047
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -74932,18 +74939,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 56 % of the run time was spent in pair search,
+74: NOTE: 18 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.030      199.7
+74:        Time:        0.002        0.001      193.7
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.376        0.486
+74: Performance:     1691.541        0.014
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/12 (167 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/12 (21 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/13
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_input.mdp]:
@@ -75009,13 +75016,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 11 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.117        0.058      199.8
+74:        Time:        0.004        0.002      197.4
 74:                  (ns/day)    (hour/ns)
-74: Performance:       25.138        0.955
+74: Performance:      689.953        0.035
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -75030,18 +75034,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 55 % of the run time was spent in pair search,
+74: NOTE: 19 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.029      199.6
+74:        Time:        0.002        0.001      192.7
 74:                  (ns/day)    (hour/ns)
-74: Performance:       50.074        0.479
+74: Performance:     1847.809        0.013
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/13 (108 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/13 (14 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/14
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_input.mdp]:
@@ -75108,9 +75112,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.231        0.116      199.9
+74:        Time:        0.004        0.002      197.3
 74:                  (ns/day)    (hour/ns)
-74: Performance:       12.693        1.891
+74: Performance:      740.723        0.032
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -75125,18 +75129,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 55 % of the run time was spent in pair search,
+74: NOTE: 20 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.030      199.6
+74:        Time:        0.001        0.001      193.5
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.587        0.484
+74: Performance:     2043.315        0.012
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/14 (167 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/14 (13 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/15
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_input.mdp]:
@@ -75203,9 +75207,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.229        0.115      199.9
+74:        Time:        0.004        0.002      197.5
 74:                  (ns/day)    (hour/ns)
-74: Performance:       12.820        1.872
+74: Performance:      713.362        0.034
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -75220,18 +75224,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 55 % of the run time was spent in pair search,
+74: NOTE: 20 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.030      199.7
+74:        Time:        0.001        0.001      193.4
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.787        0.482
+74: Performance:     2057.647        0.012
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/15 (165 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/15 (13 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/16
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_input.mdp]:
@@ -75298,9 +75302,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.229        0.115      199.9
+74:        Time:        0.004        0.002      197.4
 74:                  (ns/day)    (hour/ns)
-74: Performance:       12.811        1.873
+74: Performance:      703.827        0.034
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -75315,18 +75319,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 55 % of the run time was spent in pair search,
+74: NOTE: 19 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.030      199.6
+74:        Time:        0.001        0.001      193.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.718        0.483
+74: Performance:     2048.070        0.012
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/16 (165 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/16 (13 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/17
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_input.mdp]:
@@ -75393,9 +75397,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.231        0.115      199.9
+74:        Time:        0.004        0.002      197.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:       12.740        1.884
+74: Performance:      704.229        0.034
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -75410,18 +75414,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 56 % of the run time was spent in pair search,
+74: NOTE: 20 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.058        0.029      199.7
+74:        Time:        0.001        0.001      194.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       50.182        0.478
+74: Performance:     2065.927        0.012
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/17 (166 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/17 (13 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/18
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_input.mdp]:
@@ -75488,9 +75492,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.212        0.106      199.9
+74:        Time:        0.004        0.002      197.5
 74:                  (ns/day)    (hour/ns)
-74: Performance:       13.832        1.735
+74: Performance:      753.221        0.032
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -75505,18 +75509,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 14 % of the run time was spent in pair search,
+74: NOTE: 19 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.002        0.001      190.9
+74:        Time:        0.001        0.001      193.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:     1692.471        0.014
+74: Performance:     2000.193        0.012
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/18 (125 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/18 (13 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/19
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_input.mdp]:
@@ -75583,9 +75587,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.004        0.002      196.7
+74:        Time:        0.004        0.002      197.4
 74:                  (ns/day)    (hour/ns)
-74: Performance:      674.912        0.036
+74: Performance:      741.704        0.032
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -75600,18 +75604,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 15 % of the run time was spent in pair search,
+74: NOTE: 19 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.002        0.001      190.7
+74:        Time:        0.001        0.001      193.1
 74:                  (ns/day)    (hour/ns)
-74: Performance:     1699.943        0.014
+74: Performance:     2069.397        0.012
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/19 (19 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/19 (13 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/20
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_input.mdp]:
@@ -75678,9 +75682,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.012        0.006      198.8
+74:        Time:        0.004        0.002      197.3
 74:                  (ns/day)    (hour/ns)
-74: Performance:      237.586        0.101
+74: Performance:      717.099        0.033
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -75695,18 +75699,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 15 % of the run time was spent in pair search,
+74: NOTE: 20 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.002        0.001      192.1
+74:        Time:        0.001        0.001      193.3
 74:                  (ns/day)    (hour/ns)
-74: Performance:     1603.069        0.015
+74: Performance:     2033.870        0.012
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/20 (22 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/20 (13 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/21
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_input.mdp]:
@@ -75773,9 +75777,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.006        0.003      197.0
+74:        Time:        0.004        0.002      197.3
 74:                  (ns/day)    (hour/ns)
-74: Performance:      494.152        0.049
+74: Performance:      748.553        0.032
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -75790,18 +75794,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 17 % of the run time was spent in pair search,
+74: NOTE: 20 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.002        0.001      187.9
+74:        Time:        0.001        0.001      193.3
 74:                  (ns/day)    (hour/ns)
-74: Performance:     1677.265        0.014
+74: Performance:     1955.123        0.012
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/21 (19 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/21 (13 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/22
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_input.mdp]:
@@ -75863,9 +75867,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.005        0.003      196.5
+74:        Time:        0.003        0.002      195.5
 74:                  (ns/day)    (hour/ns)
-74: Performance:      550.791        0.044
+74: Performance:      826.371        0.029
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 74: 
@@ -75881,18 +75885,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 14 % of the run time was spent in pair search,
+74: NOTE: 21 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.002        0.001      191.4
+74:        Time:        0.001        0.001      192.9
 74:                  (ns/day)    (hour/ns)
-74: Performance:     1591.885        0.015
+74: Performance:     1897.903        0.013
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/22 (26 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/22 (20 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/23
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_input.mdp]:
@@ -75954,9 +75958,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.140        0.070      199.8
+74:        Time:        0.003        0.002      195.3
 74:                  (ns/day)    (hour/ns)
-74: Performance:       21.026        1.141
+74: Performance:      829.151        0.029
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 74: 
@@ -75972,18 +75976,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 52 % of the run time was spent in pair search,
+74: NOTE: 20 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.064        0.032      199.6
+74:        Time:        0.001        0.001      192.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:       45.862        0.523
+74: Performance:     1919.188        0.013
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/23 (131 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/23 (20 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/24
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_input.mdp]:
@@ -76045,9 +76049,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.213        0.106      199.9
+74:        Time:        0.003        0.002      195.5
 74:                  (ns/day)    (hour/ns)
-74: Performance:       13.799        1.739
+74: Performance:      822.070        0.029
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 74: 
@@ -76063,18 +76067,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 51 % of the run time was spent in pair search,
+74: NOTE: 20 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.064        0.032      199.7
+74:        Time:        0.001        0.001      193.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       46.043        0.521
+74: Performance:     1921.583        0.012
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/24 (167 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/24 (20 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/25
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_input.mdp]:
@@ -76136,9 +76140,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.213        0.107      199.9
+74:        Time:        0.003        0.002      195.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:       13.770        1.743
+74: Performance:      829.710        0.029
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 74: 
@@ -76154,18 +76158,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 51 % of the run time was spent in pair search,
+74: NOTE: 20 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.064        0.032      199.6
+74:        Time:        0.001        0.001      192.8
 74:                  (ns/day)    (hour/ns)
-74: Performance:       46.099        0.521
+74: Performance:     1904.945        0.013
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/25 (167 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/25 (20 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/26
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_input.mdp]:
@@ -76227,9 +76231,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.213        0.107      199.9
+74:        Time:        0.004        0.002      195.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:       13.776        1.742
+74: Performance:      795.942        0.030
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 74: 
@@ -76245,18 +76249,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 51 % of the run time was spent in pair search,
+74: NOTE: 20 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.063        0.032      199.7
+74:        Time:        0.002        0.001      193.3
 74:                  (ns/day)    (hour/ns)
-74: Performance:       46.409        0.517
+74: Performance:     1892.074        0.013
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/26 (167 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/26 (20 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/27
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_input.mdp]:
@@ -76318,9 +76322,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.213        0.106      199.9
+74:        Time:        0.003        0.002      194.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       13.795        1.740
+74: Performance:      944.152        0.025
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 74: 
@@ -76336,18 +76340,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 51 % of the run time was spent in pair search,
+74: NOTE: 20 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.064        0.032      199.7
+74:        Time:        0.002        0.001      192.7
 74:                  (ns/day)    (hour/ns)
-74: Performance:       45.877        0.523
+74: Performance:     1850.584        0.013
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/27 (167 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/27 (20 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/28
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_input.mdp]:
@@ -76409,9 +76413,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.214        0.107      199.9
+74:        Time:        0.004        0.002      195.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       13.719        1.749
+74: Performance:      769.017        0.031
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 74: 
@@ -76427,18 +76431,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 51 % of the run time was spent in pair search,
+74: NOTE: 20 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.063        0.032      199.7
+74:        Time:        0.001        0.001      191.8
 74:                  (ns/day)    (hour/ns)
-74: Performance:       46.210        0.519
+74: Performance:     2123.610        0.011
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/28 (168 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/28 (20 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/29
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_input.mdp]:
@@ -76500,9 +76504,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.213        0.107      199.9
+74:        Time:        0.003        0.002      195.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       13.761        1.744
+74: Performance:      943.574        0.025
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 74: 
@@ -76518,18 +76522,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 51 % of the run time was spent in pair search,
+74: NOTE: 22 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.063        0.032      199.6
+74:        Time:        0.001        0.001      192.4
 74:                  (ns/day)    (hour/ns)
-74: Performance:       46.561        0.515
+74: Performance:     1946.475        0.012
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/29 (168 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/29 (21 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/30
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_input.mdp]:
@@ -76591,9 +76595,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.214        0.107      199.9
+74:        Time:        0.003        0.002      195.5
 74:                  (ns/day)    (hour/ns)
-74: Performance:       13.745        1.746
+74: Performance:      854.688        0.028
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 74: 
@@ -76609,18 +76613,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 51 % of the run time was spent in pair search,
+74: NOTE: 22 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.064        0.032      199.6
+74:        Time:        0.002        0.001      194.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:       45.965        0.522
+74: Performance:     1518.510        0.016
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/30 (167 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/30 (20 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/31
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_input.mdp]:
@@ -76682,9 +76686,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.213        0.107      199.9
+74:        Time:        0.003        0.002      195.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:       13.767        1.743
+74: Performance:      861.621        0.028
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 74: 
@@ -76700,18 +76704,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 50 % of the run time was spent in pair search,
+74: NOTE: 21 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.025        0.013      199.3
+74:        Time:        0.002        0.001      193.3
 74:                  (ns/day)    (hour/ns)
-74: Performance:      116.341        0.206
+74: Performance:     1868.545        0.013
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/31 (148 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/31 (20 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/32
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_input.mdp]:
@@ -76773,9 +76777,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.214        0.107      199.9
+74:        Time:        0.003        0.002      195.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:       13.743        1.746
+74: Performance:      838.747        0.029
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 74: 
@@ -76791,24 +76795,24 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 51 % of the run time was spent in pair search,
+74: NOTE: 23 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.063        0.032      199.7
+74:        Time:        0.002        0.001      194.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       46.443        0.517
+74: Performance:     1873.090        0.013
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim1.edr as single precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim2.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/32 (168 ms)
-74: [----------] 33 tests from MdrunIsReproduced/MdrunRerunFreeEnergyTest (4050 ms total)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/32 (20 ms)
+74: [----------] 33 tests from MdrunIsReproduced/MdrunRerunFreeEnergyTest (592 ms total)
 74: 
 74: [----------] Global test environment tear-down
-74: [==========] 46 tests from 3 test suites ran. (6040 ms total)
+74: [==========] 46 tests from 3 test suites ran. (1350 ms total)
 74: [  PASSED  ] 46 tests.
-74/92 Test #74: MdrunNonIntegratorTests ...................   Passed    6.06 sec
+74/92 Test #74: MdrunNonIntegratorTests ...................   Passed    1.37 sec
 test 75
       Start 75: MdrunTpiTests
 
@@ -76845,7 +76849,7 @@
 75: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 75: 
 75: This run will generate roughly 0 Mb of data
-75: [       OK ] Simple/TpiTest.ReproducesOutput/0 (242 ms)
+75: [       OK ] Simple/TpiTest.ReproducesOutput/0 (182 ms)
 75: [ RUN      ] Simple/TpiTest.ReproducesOutput/1
 75: Generating 1-4 interactions: fudge = 0.5
 75: Number of degrees of freedom in T-Coupling group System is 1308.00
@@ -76873,7 +76877,7 @@
 75: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 75: 
 75: This run will generate roughly 0 Mb of data
-75: [       OK ] Simple/TpiTest.ReproducesOutput/1 (238 ms)
+75: [       OK ] Simple/TpiTest.ReproducesOutput/1 (138 ms)
 75: [ RUN      ] Simple/TpiTest.ReproducesOutput/2
 75: Generating 1-4 interactions: fudge = 0.5
 75: Number of degrees of freedom in T-Coupling group System is 1308.00
@@ -76901,13 +76905,13 @@
 75: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 75: 
 75: This run will generate roughly 0 Mb of data
-75: [       OK ] Simple/TpiTest.ReproducesOutput/2 (217 ms)
-75: [----------] 3 tests from Simple/TpiTest (700 ms total)
+75: [       OK ] Simple/TpiTest.ReproducesOutput/2 (138 ms)
+75: [----------] 3 tests from Simple/TpiTest (459 ms total)
 75: 
 75: [----------] Global test environment tear-down
-75: [==========] 3 tests from 1 test suite ran. (707 ms total)
+75: [==========] 3 tests from 1 test suite ran. (475 ms total)
 75: [  PASSED  ] 3 tests.
-75/92 Test #75: MdrunTpiTests .............................   Passed    0.72 sec
+75/92 Test #75: MdrunTpiTests .............................   Passed    0.50 sec
 test 76
       Start 76: MdrunMpiTests
 
@@ -76954,16 +76958,16 @@
 76: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 76: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 76: 
-76: NOTE: 60 % of the run time was spent in domain decomposition,
-76:       13 % of the run time was spent in pair search,
+76: NOTE: 30 % of the run time was spent in domain decomposition,
+76:       10 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.068        0.017      399.3
+76:        Time:        0.002        0.001      377.5
 76:                  (ns/day)    (hour/ns)
-76: Performance:        5.042        4.760
+76: Performance:      161.600        0.149
 76: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol.edr as single precision energy file
-76: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -5261333
+76: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -201990161
 76: 
 76: Generated 10 of the 10 non-bonded parameter combinations
 76: 
@@ -76974,7 +76978,7 @@
 76: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/4water.gro', all velocities are zero
 76: 
 76: This run will generate roughly 0 Mb of data
-76: [       OK ] MimicTest.OneQuantumMol (208 ms)
+76: [       OK ] MimicTest.OneQuantumMol (13 ms)
 76: [ RUN      ] MimicTest.AllQuantumMol
 76: 
 76: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol_input.mdp]:
@@ -77012,16 +77016,16 @@
 76: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 76: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 76: 
-76: NOTE: 55 % of the run time was spent in domain decomposition,
-76:       15 % of the run time was spent in pair search,
+76: NOTE: 22 % of the run time was spent in domain decomposition,
+76:       11 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.068        0.017      399.3
+76:        Time:        0.002        0.000      375.2
 76:                  (ns/day)    (hour/ns)
-76: Performance:        5.092        4.714
+76: Performance:      181.876        0.132
 76: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol.edr as single precision energy file
-76: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -1074798754
+76: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to 2146910127
 76: 
 76: Generated 10 of the 10 non-bonded parameter combinations
 76: 
@@ -77032,7 +77036,7 @@
 76: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/4water.gro', all velocities are zero
 76: 
 76: This run will generate roughly 0 Mb of data
-76: [       OK ] MimicTest.AllQuantumMol (304 ms)
+76: [       OK ] MimicTest.AllQuantumMol (10 ms)
 76: [ RUN      ] MimicTest.TwoQuantumMol
 76: 
 76: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]:
@@ -77070,16 +77074,16 @@
 76: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 76: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 76: 
-76: NOTE: 48 % of the run time was spent in domain decomposition,
-76:       16 % of the run time was spent in pair search,
+76: NOTE: 17 % of the run time was spent in domain decomposition,
+76:       11 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.060        0.015      399.3
+76:        Time:        0.002        0.001      379.2
 76:                  (ns/day)    (hour/ns)
-76: Performance:        5.786        4.148
+76: Performance:      136.776        0.175
 76: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol.edr as single precision energy file
-76: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -1108087810
+76: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -1076428993
 76: 
 76: Generated 10 of the 10 non-bonded parameter combinations
 76: 
@@ -77090,7 +77094,7 @@
 76: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/4water.gro', all velocities are zero
 76: 
 76: This run will generate roughly 0 Mb of data
-76: [       OK ] MimicTest.TwoQuantumMol (36 ms)
+76: [       OK ] MimicTest.TwoQuantumMol (11 ms)
 76: [ RUN      ] MimicTest.BondCuts
 76: 
 76: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]:
@@ -77128,16 +77132,16 @@
 76: Reading frames from gro file 'Alanine dipeptide in water', 23 atoms.
 76: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 76: 
-76: NOTE: 46 % of the run time was spent in domain decomposition,
-76:       13 % of the run time was spent in pair search,
+76: NOTE: 29 % of the run time was spent in domain decomposition,
+76:       7 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.076        0.019      399.4
+76:        Time:        0.004        0.001      387.7
 76:                  (ns/day)    (hour/ns)
-76: Performance:        4.523        5.307
+76: Performance:       94.754        0.253
 76: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts.edr as single precision energy file
-76: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -536892693
+76: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -78710913
 76: 
 76: Generated 2211 of the 2211 non-bonded parameter combinations
 76: 
@@ -77156,8 +77160,8 @@
 76: Note that mdrun will redetermine rlist based on the actual pair-list setup
 76: 
 76: This run will generate roughly 0 Mb of data
-76: [       OK ] MimicTest.BondCuts (286 ms)
-76: [----------] 4 tests from MimicTest (838 ms total)
+76: [       OK ] MimicTest.BondCuts (24 ms)
+76: [----------] 4 tests from MimicTest (59 ms total)
 76: 
 76: [----------] 12 tests from DomainDecomposition/DomDecSpecialCasesTest
 76: Generating 1-4 interactions: fudge = 0.5
@@ -77200,7 +77204,7 @@
 76: 
 76: 
 76: There was 1 NOTE
-76: Setting the LD random seed to -169967681
+76: Setting the LD random seed to -479253521
 76: 
 76: Generated 3 of the 3 non-bonded parameter combinations
 76: 
@@ -77211,7 +77215,7 @@
 76: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/spc2_and_vacuum.gro', all velocities are zero
 76: 
 76: This run will generate roughly 0 Mb of data
-76: Setting the LD random seed to -544214081
+76: Setting the LD random seed to -362037505
 76: 
 76: Generated 3 of the 3 non-bonded parameter combinations
 76: 
@@ -77230,7 +77234,7 @@
 76: Note that mdrun will redetermine rlist based on the actual pair-list setup
 76: 
 76: This run will generate roughly 0 Mb of data
-76: Setting the LD random seed to -33981985
+76: Setting the LD random seed to 645899647
 76: 
 76: Generated 3 of the 3 non-bonded parameter combinations
 76: 
@@ -77247,7 +77251,7 @@
 76: Estimate for the relative computational load of the PME mesh part: 1.00
 76: 
 76: This run will generate roughly 0 Mb of data
-76: Setting the LD random seed to -27296773
+76: Setting the LD random seed to -1076693242
 76: 
 76: Generated 3 of the 3 non-bonded parameter combinations
 76: 
@@ -77291,26 +77295,20 @@
 76: 
 76: Dynamic load balancing report:
 76:  DLB was turned on during the run due to measured imbalance.
-76:  Average load imbalance: 22.9%.
-76:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
-76:  Part of the total run time spent waiting due to load imbalance: 11.7%.
+76:  Average load imbalance: 4.7%.
+76:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+76:  Part of the total run time spent waiting due to load imbalance: 2.2%.
 76:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 76: 
-76: NOTE: 11.7 % of the available CPU time was lost due to load imbalance
-76:       in the domain decomposition.
-76:       You can consider manually changing the decomposition (option -dd);
-76:       e.g. by using fewer domains along the box dimension in which there is
-76:       considerable inhomogeneity in the simulated system.
 76: 
-76: NOTE: 12 % of the run time was spent in domain decomposition,
-76:       6 % of the run time was spent in pair search,
-76:       you might want to increase nstlist (this has no effect on accuracy)
+76: NOTE: 34 % of the run time was spent communicating energies,
+76:       you might want to increase some nst* mdp options
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.475        0.119      399.5
+76:        Time:        0.011        0.003      394.8
 76:                  (ns/day)    (hour/ns)
-76: Performance:       15.264        1.572
-76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_No_coupling_nbcpu_pmecpu_updatecpu_npme0 (146 ms)
+76: Performance:      623.042        0.039
+76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_No_coupling_nbcpu_pmecpu_updatecpu_npme0 (8 ms)
 76: [ RUN      ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_No_coupling_nbcpu_pmecpu_updatecpu_npme1
 76: ./src/programs/mdrun/tests/domain_decomposition.cpp:385: Skipped
 76: Test configuration is invalid:
@@ -77341,14 +77339,14 @@
 76: 
 76: Writing final coordinates.
 76: 
-76: NOTE: 10 % of the run time was spent communicating energies,
+76: NOTE: 19 % of the run time was spent communicating energies,
 76:       you might want to increase some nst* mdp options
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.457        0.114      399.4
+76:        Time:        0.006        0.001      383.5
 76:                  (ns/day)    (hour/ns)
-76: Performance:       15.864        1.513
-76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme0 (136 ms)
+76: Performance:     1210.939        0.020
+76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme0 (18 ms)
 76: [ RUN      ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme1
 76: ./src/programs/mdrun/tests/domain_decomposition.cpp:385: Skipped
 76: Test configuration is invalid:
@@ -77380,18 +77378,17 @@
 76: 
 76: 
 76: Dynamic load balancing report:
-76:  DLB was turned on during the run due to measured imbalance.
-76:  Average load imbalance: 7.8%.
-76:  The balanceable part of the MD step is 27%, load imbalance is computed from this.
-76:  Part of the total run time spent waiting due to load imbalance: 2.1%.
-76:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+76:  DLB was off during the run due to low measured imbalance.
+76:  Average load imbalance: 4.7%.
+76:  The balanceable part of the MD step is 8%, load imbalance is computed from this.
+76:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 76: 
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        1.198        0.300      399.9
+76:        Time:        0.036        0.009      396.5
 76:                  (ns/day)    (hour/ns)
-76: Performance:        6.055        3.963
-76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme0 (12209 ms)
+76: Performance:      197.121        0.122
+76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme0 (9779 ms)
 76: [ RUN      ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme1
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/DomainDecomposition_DomDecSpecialCasesTest_PME_No.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
@@ -77409,10 +77406,10 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.602        0.152      395.1
+76:        Time:        0.271        0.068      399.6
 76:                  (ns/day)    (hour/ns)
-76: Performance:       11.918        2.014
-76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme1 (8137 ms)
+76: Performance:       26.773        0.896
+76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme1 (5261 ms)
 76: [ RUN      ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme2
 76: ./src/programs/mdrun/tests/domain_decomposition.cpp:385: Skipped
 76: Test configuration is invalid:
@@ -77436,11 +77433,15 @@
 76: 
 76: Writing final coordinates.
 76: 
+76: NOTE: 36 % of the run time was spent in domain decomposition,
+76:       22 % of the run time was spent in pair search,
+76:       you might want to increase nstlist (this has no effect on accuracy)
+76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        1.429        0.357      399.9
+76:        Time:        0.089        0.022      399.0
 76:                  (ns/day)    (hour/ns)
-76: Performance:        5.078        4.727
-76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme0 (625 ms)
+76: Performance:       81.067        0.296
+76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme0 (51 ms)
 76: [ RUN      ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme1
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/DomainDecomposition_DomDecSpecialCasesTest_PME_TemperatureAndPressure.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Changing nstlist from 10 to 100, rlist from 1 to 1
@@ -77459,20 +77460,20 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.625        0.156      399.9
+76:        Time:        0.070        0.018      397.9
 76:                  (ns/day)    (hour/ns)
-76: Performance:       11.613        2.067
-76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme1 (215 ms)
+76: Performance:      103.397        0.232
+76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme1 (48 ms)
 76: [ RUN      ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme2
 76: ./src/programs/mdrun/tests/domain_decomposition.cpp:385: Skipped
 76: Test configuration is invalid:
 76:   Cannot use two separate PME ranks when there are less than four ranks total
 76: 
 76: [  SKIPPED ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme2 (0 ms)
-76: [----------] 12 tests from DomainDecomposition/DomDecSpecialCasesTest (21477 ms total)
+76: [----------] 12 tests from DomainDecomposition/DomDecSpecialCasesTest (15167 ms total)
 76: 
 76: [----------] Global test environment tear-down
-76: [==========] 16 tests from 2 test suites ran. (22345 ms total)
+76: [==========] 16 tests from 2 test suites ran. (15274 ms total)
 76: [  PASSED  ] 10 tests.
 76: [  SKIPPED ] 6 tests, listed below:
 76: [  SKIPPED ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_No_coupling_nbcpu_pmecpu_updatecpu_npme1
@@ -77481,7 +77482,7 @@
 76: [  SKIPPED ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme2
 76: [  SKIPPED ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme2
 76: [  SKIPPED ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme2
-76/92 Test #76: MdrunMpiTests .............................   Passed   22.36 sec
+76/92 Test #76: MdrunMpiTests .............................   Passed   15.30 sec
 test 77
       Start 77: MdrunMultiSimTests
 
@@ -77498,12 +77499,12 @@
 77: [----------] 2 tests from InNvt/MultiSimTerminationTest (0 ms total)
 77: 
 77: [----------] Global test environment tear-down
-77: [==========] 2 tests from 1 test suite ran. (21 ms total)
+77: [==========] 2 tests from 1 test suite ran. (6 ms total)
 77: [  PASSED  ] 2 tests.
 77: 
 77:   YOU HAVE 4 DISABLED TESTS
 77: 
-77/92 Test #77: MdrunMultiSimTests ........................   Passed    0.04 sec
+77/92 Test #77: MdrunMultiSimTests ........................   Passed    0.02 sec
 test 78
       Start 78: MdrunMultiSimReplexTests
 
@@ -77518,12 +77519,12 @@
 78: [----------] 1 test from InNvt/ReplicaExchangeTerminationTest (0 ms total)
 78: 
 78: [----------] Global test environment tear-down
-78: [==========] 1 test from 1 test suite ran. (15 ms total)
+78: [==========] 1 test from 1 test suite ran. (6 ms total)
 78: [  PASSED  ] 1 test.
 78: 
 78:   YOU HAVE 4 DISABLED TESTS
 78: 
-78/92 Test #78: MdrunMultiSimReplexTests ..................   Passed    0.04 sec
+78/92 Test #78: MdrunMultiSimReplexTests ..................   Passed    0.02 sec
 test 79
       Start 79: MdrunMultiSimReplexEquivalenceTests
 
@@ -77536,7 +77537,7 @@
 79: 
 79:   YOU HAVE 10 DISABLED TESTS
 79: 
-79/92 Test #79: MdrunMultiSimReplexEquivalenceTests .......   Passed    0.02 sec
+79/92 Test #79: MdrunMultiSimReplexEquivalenceTests .......   Passed    0.01 sec
 test 80
       Start 80: MdrunMpi1RankPmeTests
 
@@ -77583,7 +77584,7 @@
 80: 
 80: 
 80: There were 3 NOTEs
-80: Setting the LD random seed to -150994977
+80: Setting the LD random seed to -1082131971
 80: 
 80: Generated 8 of the 10 non-bonded parameter combinations
 80: 
@@ -77608,7 +77609,7 @@
 80: Estimate for the relative computational load of the PME mesh part: 1.00
 80: 
 80: This run will generate roughly 0 Mb of data
-80: Setting the LD random seed to -33767777
+80: Setting the LD random seed to -112853282
 80: 
 80: Generated 8 of the 10 non-bonded parameter combinations
 80: 
@@ -77652,11 +77653,11 @@
 80: Writing final coordinates.
 80: 
 80:                Core t (s)   Wall t (s)        (%)
-80:        Time:        0.417        0.208      200.0
+80:        Time:        0.030        0.015      199.5
 80:                  (ns/day)    (hour/ns)
-80: Performance:        8.708        2.756
+80: Performance:      120.358        0.199
 80: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__notunepme__npme_0__pme_cpu.edr as single precision energy file
-80: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_cpu (12881 ms)
+80: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_cpu (10147 ms)
 80: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_auto
 80: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_basic.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 80: Can not increase nstlist because an NVE ensemble is used
@@ -77674,11 +77675,11 @@
 80: Writing final coordinates.
 80: 
 80:                Core t (s)   Wall t (s)        (%)
-80:        Time:        0.446        0.223      200.0
+80:        Time:        0.029        0.014      199.5
 80:                  (ns/day)    (hour/ns)
-80: Performance:        8.139        2.949
+80: Performance:      125.392        0.191
 80: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__notunepme__npme_0__pme_auto.edr as single precision energy file
-80: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_auto (248 ms)
+80: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_auto (20 ms)
 80: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_gpu__pmefft_cpu
 80: ./src/programs/mdrun/tests/pmetest.cpp:309: Skipped
 80: Test is being skipped because:
@@ -77717,16 +77718,12 @@
 80: starting mdrun 'spc-and-methanol'
 80: 0 steps,      0.0 ps.
 80: 
-80: NOTE: 37 % of the run time was spent in domain decomposition,
-80:       6 % of the run time was spent in pair search,
-80:       you might want to increase nstlist (this has no effect on accuracy)
-80: 
 80:                Core t (s)   Wall t (s)        (%)
-80:        Time:        0.071        0.035      199.6
+80:        Time:        0.006        0.003      196.1
 80:                  (ns/day)    (hour/ns)
-80: Performance:        2.445        9.817
+80: Performance:       30.051        0.799
 80: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_with_walls__notunepme__npme_0__pme_cpu.edr as single precision energy file
-80: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_cpu (44516 ms)
+80: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_cpu (29888 ms)
 80: [ RUN      ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_gpu__pmefft_cpu
 80: ./src/programs/mdrun/tests/pmetest.cpp:309: Skipped
 80: Test is being skipped because:
@@ -77823,11 +77820,11 @@
 80: Writing final coordinates.
 80: 
 80:                Core t (s)   Wall t (s)        (%)
-80:        Time:        0.445        0.223      200.0
+80:        Time:        0.028        0.014      199.4
 80:                  (ns/day)    (hour/ns)
-80: Performance:        8.145        2.947
+80: Performance:      127.303        0.189
 80: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__tunepme__npme_0__pme_cpu.edr as single precision energy file
-80: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_cpu (251 ms)
+80: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_cpu (19 ms)
 80: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_cpu
 80: ./src/programs/mdrun/tests/pmetest.cpp:309: Skipped
 80: Test is being skipped because:
@@ -77844,10 +77841,10 @@
 80:     Non-GPU build of GROMACS.
 80: 
 80: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_gpu (0 ms)
-80: [----------] 19 tests from ReproducesEnergies/PmeTest (57904 ms total)
+80: [----------] 19 tests from ReproducesEnergies/PmeTest (40076 ms total)
 80: 
 80: [----------] Global test environment tear-down
-80: [==========] 19 tests from 1 test suite ran. (57928 ms total)
+80: [==========] 19 tests from 1 test suite ran. (40089 ms total)
 80: [  PASSED  ] 4 tests.
 80: [  SKIPPED ] 15 tests, listed below:
 80: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_gpu__pmefft_cpu
@@ -77865,7 +77862,7 @@
 80: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_1__pme_gpu__pmefft_gpu
 80: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_cpu
 80: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_gpu
-80/92 Test #80: MdrunMpi1RankPmeTests .....................   Passed   57.95 sec
+80/92 Test #80: MdrunMpi1RankPmeTests .....................   Passed   40.10 sec
 test 81
       Start 81: MdrunMpi2RankPmeTests
 
@@ -77912,7 +77909,7 @@
 81: 
 81: 
 81: There were 3 NOTEs
-81: Setting the LD random seed to -100664323
+81: Setting the LD random seed to -1174479127
 81: 
 81: Generated 8 of the 10 non-bonded parameter combinations
 81: 
@@ -77937,7 +77934,7 @@
 81: Estimate for the relative computational load of the PME mesh part: 1.00
 81: 
 81: This run will generate roughly 0 Mb of data
-81: Setting the LD random seed to 1721499647
+81: Setting the LD random seed to -134354147
 81: 
 81: Generated 8 of the 10 non-bonded parameter combinations
 81: 
@@ -77983,20 +77980,20 @@
 81: 
 81: Dynamic load balancing report:
 81:  DLB was off during the run due to low measured imbalance.
-81:  Average load imbalance: 8.1%.
-81:  The balanceable part of the MD step is 2%, load imbalance is computed from this.
-81:  Part of the total run time spent waiting due to load imbalance: 0.1%.
+81:  Average load imbalance: 15.4%.
+81:  The balanceable part of the MD step is 9%, load imbalance is computed from this.
+81:  Part of the total run time spent waiting due to load imbalance: 1.3%.
 81: 
 81: 
-81: NOTE: 13 % of the run time was spent communicating energies,
+81: NOTE: 7 % of the run time was spent communicating energies,
 81:       you might want to increase some nst* mdp options
 81: 
 81:                Core t (s)   Wall t (s)        (%)
-81:        Time:        0.257        0.064      399.5
+81:        Time:        0.045        0.011      398.5
 81:                  (ns/day)    (hour/ns)
-81: Performance:       28.199        0.851
+81: Performance:      159.183        0.151
 81: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__notunepme__npme_0__pme_cpu.edr as single precision energy file
-81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_cpu (17560 ms)
+81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_cpu (9675 ms)
 81: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_auto
 81: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_basic.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 81: Can not increase nstlist because an NVE ensemble is used
@@ -78016,17 +78013,20 @@
 81: 
 81: Dynamic load balancing report:
 81:  DLB was off during the run due to low measured imbalance.
-81:  Average load imbalance: 8.4%.
-81:  The balanceable part of the MD step is 0%, load imbalance is computed from this.
-81:  Part of the total run time spent waiting due to load imbalance: 0.0%.
+81:  Average load imbalance: 8.0%.
+81:  The balanceable part of the MD step is 11%, load imbalance is computed from this.
+81:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 81: 
 81: 
+81: NOTE: 5 % of the run time was spent communicating energies,
+81:       you might want to increase some nst* mdp options
+81: 
 81:                Core t (s)   Wall t (s)        (%)
-81:        Time:        1.099        0.275      399.8
+81:        Time:        0.045        0.011      396.0
 81:                  (ns/day)    (hour/ns)
-81: Performance:        6.599        3.637
+81: Performance:      158.390        0.152
 81: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__notunepme__npme_0__pme_auto.edr as single precision energy file
-81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_auto (741 ms)
+81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_auto (25 ms)
 81: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_gpu__pmefft_cpu
 81: ./src/programs/mdrun/tests/pmetest.cpp:309: Skipped
 81: Test is being skipped because:
@@ -78068,19 +78068,12 @@
 81: starting mdrun 'spc-and-methanol'
 81: 0 steps,      0.0 ps.
 81: 
-81: NOTE: 27 % of the run time was spent in domain decomposition,
-81:       3 % of the run time was spent in pair search,
-81:       you might want to increase nstlist (this has no effect on accuracy)
-81: 
-81: NOTE: 22 % of the run time was spent communicating energies,
-81:       you might want to increase some nst* mdp options
-81: 
 81:                Core t (s)   Wall t (s)        (%)
-81:        Time:        0.258        0.082      313.7
+81:        Time:        0.007        0.002      381.6
 81:                  (ns/day)    (hour/ns)
-81: Performance:        1.052       22.822
+81: Performance:       47.992        0.500
 81: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_with_walls__notunepme__npme_0__pme_cpu.edr as single precision energy file
-81: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_cpu (41930 ms)
+81: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_cpu (32500 ms)
 81: [ RUN      ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_gpu__pmefft_cpu
 81: ./src/programs/mdrun/tests/pmetest.cpp:309: Skipped
 81: Test is being skipped because:
@@ -78116,11 +78109,11 @@
 81: Writing final coordinates.
 81: 
 81:                Core t (s)   Wall t (s)        (%)
-81:        Time:        0.531        0.133      399.8
+81:        Time:        0.085        0.021      398.9
 81:                  (ns/day)    (hour/ns)
-81: Performance:       13.671        1.756
+81: Performance:       85.285        0.281
 81: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__notunepme__npme_1__pme_cpu.edr as single precision energy file
-81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_1__pme_cpu (6814 ms)
+81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_1__pme_cpu (5315 ms)
 81: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_1__pme_auto
 81: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_basic.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 81: Can not increase nstlist because an NVE ensemble is used
@@ -78138,11 +78131,11 @@
 81: Writing final coordinates.
 81: 
 81:                Core t (s)   Wall t (s)        (%)
-81:        Time:        0.829        0.207      399.9
+81:        Time:        0.059        0.015      397.6
 81:                  (ns/day)    (hour/ns)
-81: Performance:        8.748        2.744
+81: Performance:      121.764        0.197
 81: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__notunepme__npme_1__pme_auto.edr as single precision energy file
-81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_1__pme_auto (272 ms)
+81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_1__pme_auto (21 ms)
 81: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_1__pme_gpu__pmefft_cpu
 81: ./src/programs/mdrun/tests/pmetest.cpp:309: Skipped
 81: Test is being skipped because:
@@ -78181,16 +78174,16 @@
 81: starting mdrun 'spc-and-methanol'
 81: 0 steps,      0.0 ps.
 81: 
-81: NOTE: 24 % of the run time was spent in domain decomposition,
-81:       8 % of the run time was spent in pair search,
+81: NOTE: 29 % of the run time was spent in domain decomposition,
+81:       5 % of the run time was spent in pair search,
 81:       you might want to increase nstlist (this has no effect on accuracy)
 81: 
 81:                Core t (s)   Wall t (s)        (%)
-81:        Time:        0.050        0.013      390.4
+81:        Time:        0.090        0.023      386.1
 81:                  (ns/day)    (hour/ns)
-81: Performance:        6.755        3.553
+81: Performance:        3.703        6.481
 81: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_with_walls__notunepme__npme_1__pme_cpu.edr as single precision energy file
-81: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_1__pme_cpu (27017 ms)
+81: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_1__pme_cpu (26763 ms)
 81: [ RUN      ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_1__pme_gpu__pmefft_cpu
 81: ./src/programs/mdrun/tests/pmetest.cpp:309: Skipped
 81: Test is being skipped because:
@@ -78225,21 +78218,22 @@
 81: 
 81: 
 81: Dynamic load balancing report:
-81:  DLB was off during the run due to low measured imbalance.
-81:  Average load imbalance: 6.5%.
-81:  The balanceable part of the MD step is 2%, load imbalance is computed from this.
-81:  Part of the total run time spent waiting due to load imbalance: 0.1%.
+81:  DLB was turned on during the run due to measured imbalance.
+81:  Average load imbalance: 9.8%.
+81:  The balanceable part of the MD step is 21%, load imbalance is computed from this.
+81:  Part of the total run time spent waiting due to load imbalance: 2.1%.
+81:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 81: 
 81: 
-81: NOTE: 33 % of the run time was spent communicating energies,
+81: NOTE: 6 % of the run time was spent communicating energies,
 81:       you might want to increase some nst* mdp options
 81: 
 81:                Core t (s)   Wall t (s)        (%)
-81:        Time:        0.143        0.036      399.1
+81:        Time:        3.311        0.828      400.0
 81:                  (ns/day)    (hour/ns)
-81: Performance:       50.750        0.473
+81: Performance:        2.192       10.948
 81: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__tunepme__npme_0__pme_cpu.edr as single precision energy file
-81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_cpu (72 ms)
+81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_cpu (890 ms)
 81: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_cpu
 81: ./src/programs/mdrun/tests/pmetest.cpp:309: Skipped
 81: Test is being skipped because:
@@ -78258,10 +78252,10 @@
 81:     Non-GPU build of GROMACS.
 81: 
 81: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_gpu (0 ms)
-81: [----------] 19 tests from ReproducesEnergies/PmeTest (94413 ms total)
+81: [----------] 19 tests from ReproducesEnergies/PmeTest (75195 ms total)
 81: 
 81: [----------] Global test environment tear-down
-81: [==========] 19 tests from 1 test suite ran. (94465 ms total)
+81: [==========] 19 tests from 1 test suite ran. (75222 ms total)
 81: [  PASSED  ] 7 tests.
 81: [  SKIPPED ] 12 tests, listed below:
 81: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_gpu__pmefft_cpu
@@ -78276,7 +78270,7 @@
 81: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_1__pme_gpu__pmefft_gpu
 81: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_cpu
 81: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_gpu
-81/92 Test #81: MdrunMpi2RankPmeTests .....................   Passed   94.50 sec
+81/92 Test #81: MdrunMpi2RankPmeTests .....................   Passed   75.24 sec
 test 82
       Start 82: MdrunCoordinationBasicTests1Rank
 
@@ -78333,9 +78327,9 @@
 82: Writing final coordinates.
 82: 
 82:                Core t (s)   Wall t (s)        (%)
-82:        Time:        0.002        0.002       98.1
+82:        Time:        0.003        0.003       98.9
 82:                  (ns/day)    (hour/ns)
-82: Performance:      837.151        0.029
+82: Performance:      517.002        0.046
 82: 
 82: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 82:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -78382,9 +78376,9 @@
 82: Writing final coordinates.
 82: 
 82:                Core t (s)   Wall t (s)        (%)
-82:        Time:        0.001        0.001       97.5
+82:        Time:        0.001        0.001       95.9
 82:                  (ns/day)    (hour/ns)
-82: Performance:     1353.382        0.018
+82: Performance:     2303.887        0.010
 82: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 82: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 82: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -78446,9 +78440,9 @@
 82: Writing final coordinates.
 82: 
 82:                Core t (s)   Wall t (s)        (%)
-82:        Time:        0.008        0.008       99.6
+82:        Time:        0.001        0.001       96.1
 82:                  (ns/day)    (hour/ns)
-82: Performance:      172.846        0.139
+82: Performance:     2023.848        0.012
 82: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 82: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 82: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -78506,9 +78500,9 @@
 82: Writing final coordinates.
 82: 
 82:                Core t (s)   Wall t (s)        (%)
-82:        Time:        0.001        0.001       96.9
+82:        Time:        0.001        0.001       96.0
 82:                  (ns/day)    (hour/ns)
-82: Performance:     1530.582        0.016
+82: Performance:     2093.304        0.011
 82: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 82: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 82: 
@@ -78566,9 +78560,9 @@
 82: Writing final coordinates.
 82: 
 82:                Core t (s)   Wall t (s)        (%)
-82:        Time:        0.001        0.001       94.9
+82:        Time:        0.001        0.001       96.9
 82:                  (ns/day)    (hour/ns)
-82: Performance:     2546.752        0.009
+82: Performance:     1504.051        0.016
 82: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 82: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 82: 
@@ -78626,18 +78620,18 @@
 82: Writing final coordinates.
 82: 
 82:                Core t (s)   Wall t (s)        (%)
-82:        Time:        0.001        0.001       96.6
+82:        Time:        0.001        0.001       96.1
 82:                  (ns/day)    (hour/ns)
-82: Performance:     1599.739        0.015
+82: Performance:     1870.815        0.013
 82: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 82: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-82: [       OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (57 ms)
-82: [----------] 1 test from BasicPropagators/PeriodicActionsTest (57 ms total)
+82: [       OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (35 ms)
+82: [----------] 1 test from BasicPropagators/PeriodicActionsTest (35 ms total)
 82: 
 82: [----------] Global test environment tear-down
-82: [==========] 1 test from 1 test suite ran. (77 ms total)
+82: [==========] 1 test from 1 test suite ran. (42 ms total)
 82: [  PASSED  ] 1 test.
-82/92 Test #82: MdrunCoordinationBasicTests1Rank ..........   Passed    0.10 sec
+82/92 Test #82: MdrunCoordinationBasicTests1Rank ..........   Passed    0.06 sec
 test 83
       Start 83: MdrunCoordinationBasicTests2Ranks
 
@@ -78698,19 +78692,29 @@
 83: 
 83: 
 83: Dynamic load balancing report:
-83:  DLB was off during the run due to low measured imbalance.
-83:  Average load imbalance: 1.6%.
-83:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
-83:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+83:  DLB was turned on during the run due to measured imbalance.
+83:  Average load imbalance: 15.7%.
+83:  The balanceable part of the MD step is 37%, load imbalance is computed from this.
+83:  Part of the total run time spent waiting due to load imbalance: 5.9%.
+83:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 83: 
+83: NOTE: 5.9 % of the available CPU time was lost due to load imbalance
+83:       in the domain decomposition.
+83:       You can consider manually changing the decomposition (option -dd);
+83:       e.g. by using fewer domains along the box dimension in which there is
+83:       considerable inhomogeneity in the simulated system.
 83: 
-83: NOTE: 82 % of the run time was spent communicating energies,
+83: NOTE: 17 % of the run time was spent in domain decomposition,
+83:       0 % of the run time was spent in pair search,
+83:       you might want to increase nstlist (this has no effect on accuracy)
+83: 
+83: NOTE: 41 % of the run time was spent communicating energies,
 83:       you might want to increase some nst* mdp options
 83: 
 83:                Core t (s)   Wall t (s)        (%)
-83:        Time:        0.041        0.039      107.2
+83:        Time:        0.335        0.168      199.9
 83:                  (ns/day)    (hour/ns)
-83: Performance:       38.050        0.631
+83: Performance:        8.766        2.738
 83: 
 83: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 83:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -78762,18 +78766,18 @@
 83: 
 83: Dynamic load balancing report:
 83:  DLB was off during the run due to low measured imbalance.
-83:  Average load imbalance: 1.7%.
+83:  Average load imbalance: 1.0%.
 83:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
-83:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+83:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 83: 
 83: 
-83: NOTE: 63 % of the run time was spent communicating energies,
+83: NOTE: 34 % of the run time was spent communicating energies,
 83:       you might want to increase some nst* mdp options
 83: 
 83:                Core t (s)   Wall t (s)        (%)
-83:        Time:        0.014        0.007      198.8
+83:        Time:        0.003        0.006       56.4
 83:                  (ns/day)    (hour/ns)
-83: Performance:      206.655        0.116
+83: Performance:      261.824        0.092
 83: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 83: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 83: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -78839,24 +78843,23 @@
 83: 
 83: 
 83: Dynamic load balancing report:
-83:  DLB was turned on during the run due to measured imbalance.
-83:  Average load imbalance: 8.5%.
-83:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
-83:  Part of the total run time spent waiting due to load imbalance: 3.7%.
-83:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+83:  DLB was off during the run due to low measured imbalance.
+83:  Average load imbalance: 1.5%.
+83:  The balanceable part of the MD step is 24%, load imbalance is computed from this.
+83:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 83: 
 83: 
-83: NOTE: 10 % of the run time was spent in domain decomposition,
-83:       3 % of the run time was spent in pair search,
+83: NOTE: 20 % of the run time was spent in domain decomposition,
+83:       2 % of the run time was spent in pair search,
 83:       you might want to increase nstlist (this has no effect on accuracy)
 83: 
-83: NOTE: 33 % of the run time was spent communicating energies,
+83: NOTE: 48 % of the run time was spent communicating energies,
 83:       you might want to increase some nst* mdp options
 83: 
 83:                Core t (s)   Wall t (s)        (%)
-83:        Time:        0.002        0.001      193.8
+83:        Time:        0.003        0.002      195.3
 83:                  (ns/day)    (hour/ns)
-83: Performance:     1233.105        0.019
+83: Performance:      918.737        0.026
 83: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 83: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 83: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -78918,19 +78921,29 @@
 83: 
 83: 
 83: Dynamic load balancing report:
-83:  DLB was off during the run due to low measured imbalance.
-83:  Average load imbalance: 1.1%.
-83:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
-83:  Part of the total run time spent waiting due to load imbalance: 0.5%.
+83:  DLB was turned on during the run due to measured imbalance.
+83:  Average load imbalance: 19.8%.
+83:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+83:  Part of the total run time spent waiting due to load imbalance: 8.8%.
+83:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 83: 
+83: NOTE: 8.8 % of the available CPU time was lost due to load imbalance
+83:       in the domain decomposition.
+83:       You can consider manually changing the decomposition (option -dd);
+83:       e.g. by using fewer domains along the box dimension in which there is
+83:       considerable inhomogeneity in the simulated system.
 83: 
-83: NOTE: 35 % of the run time was spent communicating energies,
+83: NOTE: 14 % of the run time was spent in domain decomposition,
+83:       0 % of the run time was spent in pair search,
+83:       you might want to increase nstlist (this has no effect on accuracy)
+83: 
+83: NOTE: 47 % of the run time was spent communicating energies,
 83:       you might want to increase some nst* mdp options
 83: 
 83:                Core t (s)   Wall t (s)        (%)
-83:        Time:        0.002        0.001      192.7
+83:        Time:        0.789        0.394      200.0
 83:                  (ns/day)    (hour/ns)
-83: Performance:     1287.077        0.019
+83: Performance:        3.724        6.444
 83: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 83: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 83: 
@@ -78992,19 +79005,29 @@
 83: 
 83: 
 83: Dynamic load balancing report:
-83:  DLB was off during the run due to low measured imbalance.
-83:  Average load imbalance: 2.3%.
-83:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
-83:  Part of the total run time spent waiting due to load imbalance: 1.0%.
+83:  DLB was turned on during the run due to measured imbalance.
+83:  Average load imbalance: 18.7%.
+83:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
+83:  Part of the total run time spent waiting due to load imbalance: 9.5%.
+83:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 83: 
+83: NOTE: 9.5 % of the available CPU time was lost due to load imbalance
+83:       in the domain decomposition.
+83:       You can consider manually changing the decomposition (option -dd);
+83:       e.g. by using fewer domains along the box dimension in which there is
+83:       considerable inhomogeneity in the simulated system.
 83: 
-83: NOTE: 31 % of the run time was spent communicating energies,
+83: NOTE: 15 % of the run time was spent in domain decomposition,
+83:       0 % of the run time was spent in pair search,
+83:       you might want to increase nstlist (this has no effect on accuracy)
+83: 
+83: NOTE: 45 % of the run time was spent communicating energies,
 83:       you might want to increase some nst* mdp options
 83: 
 83:                Core t (s)   Wall t (s)        (%)
-83:        Time:        0.001        0.001      190.8
+83:        Time:        1.224        0.628      194.9
 83:                  (ns/day)    (hour/ns)
-83: Performance:     1893.528        0.013
+83: Performance:        2.339       10.259
 83: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 83: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 83: 
@@ -79066,32 +79089,38 @@
 83: 
 83: 
 83: Dynamic load balancing report:
-83:  DLB was off during the run due to low measured imbalance.
-83:  Average load imbalance: 1.1%.
-83:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
-83:  Part of the total run time spent waiting due to load imbalance: 0.4%.
+83:  DLB was turned on during the run due to measured imbalance.
+83:  Average load imbalance: 18.7%.
+83:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
+83:  Part of the total run time spent waiting due to load imbalance: 9.5%.
+83:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 83: 
+83: NOTE: 9.5 % of the available CPU time was lost due to load imbalance
+83:       in the domain decomposition.
+83:       You can consider manually changing the decomposition (option -dd);
+83:       e.g. by using fewer domains along the box dimension in which there is
+83:       considerable inhomogeneity in the simulated system.
 83: 
-83: NOTE: 10 % of the run time was spent in domain decomposition,
-83:       3 % of the run time was spent in pair search,
+83: NOTE: 15 % of the run time was spent in domain decomposition,
+83:       0 % of the run time was spent in pair search,
 83:       you might want to increase nstlist (this has no effect on accuracy)
 83: 
-83: NOTE: 35 % of the run time was spent communicating energies,
+83: NOTE: 44 % of the run time was spent communicating energies,
 83:       you might want to increase some nst* mdp options
 83: 
 83:                Core t (s)   Wall t (s)        (%)
-83:        Time:        0.002        0.001      192.6
+83:        Time:        1.232        0.632      194.9
 83:                  (ns/day)    (hour/ns)
-83: Performance:     1239.556        0.019
+83: Performance:        2.325       10.325
 83: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 83: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-83: [       OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (142 ms)
-83: [----------] 1 test from BasicPropagators/PeriodicActionsTest (143 ms total)
+83: [       OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (4636 ms)
+83: [----------] 1 test from BasicPropagators/PeriodicActionsTest (4636 ms total)
 83: 
 83: [----------] Global test environment tear-down
-83: [==========] 1 test from 1 test suite ran. (159 ms total)
+83: [==========] 1 test from 1 test suite ran. (4644 ms total)
 83: [  PASSED  ] 1 test.
-83/92 Test #83: MdrunCoordinationBasicTests2Ranks .........   Passed    0.18 sec
+83/92 Test #83: MdrunCoordinationBasicTests2Ranks .........   Passed    4.66 sec
 test 84
       Start 84: MdrunCoordinationCouplingTests1Rank
 
@@ -79148,9 +79177,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.002        0.002       98.3
+84:        Time:        0.003        0.003       98.9
 84:                  (ns/day)    (hour/ns)
-84: Performance:      814.786        0.029
+84: Performance:      501.187        0.048
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -79197,9 +79226,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.5
+84:        Time:        0.001        0.001       95.4
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2028.513        0.012
+84: Performance:     2576.576        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -79256,9 +79285,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.8
+84:        Time:        0.000        0.001       95.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2145.054        0.011
+84: Performance:     2850.807        0.008
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -79316,9 +79345,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.6
+84:        Time:        0.001        0.001       94.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2257.455        0.011
+84: Performance:     2612.635        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 84: 
@@ -79376,9 +79405,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.9
+84:        Time:        0.001        0.001       96.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2226.452        0.011
+84: Performance:     1476.652        0.016
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 84: 
@@ -79436,12 +79465,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.0
+84:        Time:        0.001        0.001       96.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2712.723        0.009
+84: Performance:     1574.794        0.015
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (38 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (56 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -79497,9 +79526,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.9
+84:        Time:        0.001        0.001       97.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1393.799        0.017
+84: Performance:     1273.113        0.019
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -79556,7 +79585,7 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       97.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1594.769        0.015
+84: Performance:     1436.371        0.017
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -79613,9 +79642,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.000        0.001       95.3
+84:        Time:        0.001        0.001       97.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2804.094        0.009
+84: Performance:     1479.845        0.016
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -79673,9 +79702,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.5
+84:        Time:        0.001        0.001       96.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1652.077        0.015
+84: Performance:     1472.065        0.016
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 84: 
@@ -79733,9 +79762,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.9
+84:        Time:        0.001        0.001       96.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1570.779        0.015
+84: Performance:     1537.458        0.016
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 84: 
@@ -79793,12 +79822,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.5
+84:        Time:        0.001        0.001       96.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1483.765        0.016
+84: Performance:     1486.989        0.016
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (35 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (37 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -79846,9 +79875,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.0
+84:        Time:        0.001        0.001       96.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1466.808        0.016
+84: Performance:     2093.304        0.011
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -79895,9 +79924,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.9
+84:        Time:        0.001        0.001       97.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1620.782        0.015
+84: Performance:     1485.196        0.016
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -79948,7 +79977,7 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       96.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1794.522        0.013
+84: Performance:     1542.462        0.016
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -79998,9 +80027,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.3
+84:        Time:        0.001        0.001       96.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2700.830        0.009
+84: Performance:     1422.441        0.017
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 84: 
@@ -80052,7 +80081,7 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       96.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1553.352        0.015
+84: Performance:     1508.840        0.016
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 84: 
@@ -80102,12 +80131,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.0
+84:        Time:        0.001        0.001       96.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1590.241        0.015
+84: Performance:     1485.196        0.016
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (33 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (35 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -80155,9 +80184,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.2
+84:        Time:        0.001        0.001       97.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1475.945        0.016
+84: Performance:     1396.010        0.017
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -80204,9 +80233,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.2
+84:        Time:        0.001        0.001       95.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1486.989        0.016
+84: Performance:     2416.867        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -80255,9 +80284,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.9
+84:        Time:        0.001        0.001       96.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1565.191        0.015
+84: Performance:     1560.039        0.015
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -80307,9 +80336,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.1
+84:        Time:        0.001        0.001       96.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2793.920        0.009
+84: Performance:     1570.378        0.015
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 84: 
@@ -80359,9 +80388,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.8
+84:        Time:        0.001        0.001       96.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1649.864        0.015
+84: Performance:     1446.488        0.017
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 84: 
@@ -80411,12 +80440,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.8
+84:        Time:        0.001        0.001       96.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1697.133        0.014
+84: Performance:     1517.388        0.016
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (32 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (34 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -80462,7 +80491,7 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       97.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1484.480        0.016
+84: Performance:     1351.600        0.018
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -80505,9 +80534,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.2
+84:        Time:        0.001        0.001       97.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1626.774        0.015
+84: Performance:     1468.906        0.016
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -80560,9 +80589,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.3
+84:        Time:        0.000        0.001       95.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1529.063        0.016
+84: Performance:     2820.785        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -80616,9 +80645,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       98.0
+84:        Time:        0.001        0.001       95.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1076.650        0.022
+84: Performance:     2613.744        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 84: 
@@ -80672,9 +80701,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.000        0.001       95.4
+84:        Time:        0.001        0.001       95.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2810.490        0.009
+84: Performance:     2645.167        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 84: 
@@ -80728,12 +80757,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.0
+84:        Time:        0.001        0.001       95.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1564.397        0.015
+84: Performance:     2578.733        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (34 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (28 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
@@ -80785,9 +80814,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.0
+84:        Time:        0.001        0.001       96.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1332.885        0.018
+84: Performance:     1991.786        0.012
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -80838,9 +80867,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.002        0.002       98.2
+84:        Time:        0.001        0.001       95.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:      747.373        0.032
+84: Performance:     2250.034        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -80893,9 +80922,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.8
+84:        Time:        0.001        0.001       95.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1594.357        0.015
+84: Performance:     2634.984        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -80951,7 +80980,7 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       95.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2730.760        0.009
+84: Performance:     2545.700        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 84: 
@@ -81005,9 +81034,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.7
+84:        Time:        0.001        0.001       95.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1613.143        0.015
+84: Performance:     2341.541        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 84: 
@@ -81061,12 +81090,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.8
+84:        Time:        0.001        0.001       96.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1037.486        0.023
+84: Performance:     1753.157        0.014
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (41 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (25 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
@@ -81110,9 +81139,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.0
+84:        Time:        0.001        0.001       96.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1363.868        0.018
+84: Performance:     1758.662        0.014
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -81155,9 +81184,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.0
+84:        Time:        0.001        0.001       96.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1511.431        0.016
+84: Performance:     2044.671        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -81202,9 +81231,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.9
+84:        Time:        0.001        0.001       95.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1670.896        0.014
+84: Performance:     2231.291        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -81250,9 +81279,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.7
+84:        Time:        0.001        0.001       95.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1048.612        0.023
+84: Performance:     2080.579        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 84: 
@@ -81298,9 +81327,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.7
+84:        Time:        0.001        0.001       96.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1035.742        0.023
+84: Performance:     1578.425        0.015
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 84: 
@@ -81346,12 +81375,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.6
+84:        Time:        0.001        0.001       96.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1055.981        0.023
+84: Performance:     1668.181        0.014
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (41 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (32 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -81395,9 +81424,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.002        0.002       98.3
+84:        Time:        0.001        0.001       97.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:      778.049        0.031
+84: Performance:     1396.643        0.017
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -81440,9 +81469,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.9
+84:        Time:        0.001        0.001       97.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2549.915        0.009
+84: Performance:     1523.015        0.016
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -81487,9 +81516,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.5
+84:        Time:        0.000        0.001       94.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1147.438        0.021
+84: Performance:     2844.226        0.008
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -81535,9 +81564,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.5
+84:        Time:        0.001        0.001       95.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1033.483        0.023
+84: Performance:     2639.500        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 84: 
@@ -81583,9 +81612,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.0
+84:        Time:        0.001        0.001       95.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1075.898        0.022
+84: Performance:     2700.830        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 84: 
@@ -81631,12 +81660,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.8
+84:        Time:        0.001        0.001       95.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1486.989        0.016
+84: Performance:     2611.528        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (42 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (28 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
@@ -81685,9 +81714,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.6
+84:        Time:        0.001        0.001       96.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1857.279        0.013
+84: Performance:     2203.360        0.011
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -81735,9 +81764,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.5
+84:        Time:        0.001        0.001       95.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2673.869        0.009
+84: Performance:     2556.263        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -81795,9 +81824,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.7
+84:        Time:        0.000        0.001       95.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1801.870        0.013
+84: Performance:     2889.584        0.008
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -81856,9 +81885,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.2
+84:        Time:        0.001        0.001       95.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1791.391        0.013
+84: Performance:     2604.902        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 84: 
@@ -81917,9 +81946,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.6
+84:        Time:        0.001        0.001       94.9
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1679.093        0.014
+84: Performance:     2628.240        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 84: 
@@ -81978,12 +82007,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.0
+84:        Time:        0.001        0.001       94.9
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1662.778        0.014
+84: Performance:     2676.192        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (36 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (24 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
@@ -82040,9 +82069,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.3
+84:        Time:        0.001        0.001       96.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1925.787        0.012
+84: Performance:     1989.856        0.012
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -82098,9 +82127,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.7
+84:        Time:        0.001        0.001       95.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2577.654        0.009
+84: Performance:     2404.603        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -82158,9 +82187,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.4
+84:        Time:        0.001        0.001       95.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1853.925        0.013
+84: Performance:     2736.825        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -82221,7 +82250,7 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       95.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2777.545        0.009
+84: Performance:     2581.976        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 84: 
@@ -82280,9 +82309,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.7
+84:        Time:        0.001        0.001       95.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1634.543        0.015
+84: Performance:     2595.027        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 84: 
@@ -82341,12 +82370,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.2
+84:        Time:        0.001        0.001       95.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2662.314        0.009
+84: Performance:     2587.398        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (33 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (24 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
@@ -82395,9 +82424,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.7
+84:        Time:        0.001        0.001       96.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1451.601        0.017
+84: Performance:     2112.686        0.011
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -82445,9 +82474,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.9
+84:        Time:        0.001        0.001       76.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1613.988        0.015
+84: Performance:     1939.123        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -82497,9 +82526,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.9
+84:        Time:        0.001        0.001       95.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1620.782        0.015
+84: Performance:     2666.924        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -82550,9 +82579,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.3
+84:        Time:        0.001        0.001       94.9
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2749.038        0.009
+84: Performance:     2575.499        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 84: 
@@ -82603,9 +82632,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.4
+84:        Time:        0.001        0.001       94.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1580.045        0.015
+84: Performance:     2599.407        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 84: 
@@ -82656,12 +82685,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.7
+84:        Time:        0.001        0.001       95.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1430.368        0.017
+84: Performance:     2471.157        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (38 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (25 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
@@ -82710,9 +82739,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.7
+84:        Time:        0.001        0.001       96.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1331.445        0.018
+84: Performance:     2068.007        0.012
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -82760,9 +82789,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.7
+84:        Time:        0.001        0.001       95.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1563.602        0.015
+84: Performance:     2394.323        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -82812,9 +82841,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.6
+84:        Time:        0.001        0.001       95.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1631.945        0.015
+84: Performance:     2664.617        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -82865,9 +82894,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.2
+84:        Time:        0.001        0.001       95.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2698.464        0.009
+84: Performance:     2539.404        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 84: 
@@ -82918,9 +82947,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.2
+84:        Time:        0.001        0.001       94.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1701.351        0.014
+84: Performance:     2612.635        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 84: 
@@ -82971,12 +83000,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.5
+84:        Time:        0.001        0.001       95.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1641.949        0.015
+84: Performance:     2628.240        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (39 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (24 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
@@ -83020,9 +83049,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.7
+84:        Time:        0.001        0.001       96.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2251.679        0.011
+84: Performance:     2170.752        0.011
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -83065,9 +83094,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.5
+84:        Time:        0.001        0.001       96.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1581.261        0.015
+84: Performance:     2392.464        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -83120,9 +83149,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.6
+84:        Time:        0.001        0.001       96.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1586.555        0.015
+84: Performance:     2771.297        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -83176,9 +83205,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.4
+84:        Time:        0.001        0.001       96.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1554.920        0.015
+84: Performance:     2662.314        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 84: 
@@ -83232,9 +83261,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.4
+84:        Time:        0.001        0.001       96.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1589.831        0.015
+84: Performance:     2636.112        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 84: 
@@ -83288,12 +83317,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.8
+84:        Time:        0.001        0.001       95.9
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2717.509        0.009
+84: Performance:     2634.984        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (36 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (24 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
@@ -83347,7 +83376,7 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       96.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1872.521        0.013
+84: Performance:     1971.390        0.012
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -83398,9 +83427,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.1
+84:        Time:        0.001        0.001       96.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1741.264        0.014
+84: Performance:     2312.535        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -83453,9 +83482,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.0
+84:        Time:        0.001        0.001       96.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1890.333        0.013
+84: Performance:     2664.617        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -83509,9 +83538,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.1
+84:        Time:        0.001        0.001       95.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1711.752        0.014
+84: Performance:     2528.979        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 84: 
@@ -83565,9 +83594,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.1
+84:        Time:        0.001        0.001       96.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1742.742        0.014
+84: Performance:     2495.178        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 84: 
@@ -83621,12 +83650,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.1
+84:        Time:        0.001        0.001       96.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2631.608        0.009
+84: Performance:     2419.715        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (35 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (25 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]:
@@ -83670,9 +83699,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.2
+84:        Time:        0.001        0.001       96.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1435.032        0.017
+84: Performance:     2031.858        0.012
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -83717,7 +83746,7 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       96.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2230.483        0.011
+84: Performance:     2384.131        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -83762,9 +83791,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.9
+84:        Time:        0.001        0.001       96.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1757.659        0.014
+84: Performance:     2155.561        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -83810,9 +83839,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.9
+84:        Time:        0.001        0.001       96.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2653.141        0.009
+84: Performance:     2476.123        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 84: 
@@ -83858,9 +83887,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.7
+84:        Time:        0.001        0.001       96.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1885.127        0.013
+84: Performance:     2442.741        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 84: 
@@ -83906,12 +83935,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.0
+84:        Time:        0.001        0.001       96.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1666.827        0.014
+84: Performance:     1980.898        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (34 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (24 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
@@ -83955,9 +83984,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.3
+84:        Time:        0.001        0.001       96.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1485.913        0.016
+84: Performance:     2045.350        0.012
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -84000,9 +84029,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.3
+84:        Time:        0.001        0.001       96.4
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1585.738        0.015
+84: Performance:     2348.682        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -84047,9 +84076,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.0
+84:        Time:        0.001        0.001       96.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1741.757        0.014
+84: Performance:     2675.030        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -84095,9 +84124,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.0
+84:        Time:        0.001        0.001       96.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1652.963        0.015
+84: Performance:     2504.306        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
 84: 
@@ -84145,7 +84174,7 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       95.9
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2628.240        0.009
+84: Performance:     2550.970        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
 84: 
@@ -84191,12 +84220,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.8
+84:        Time:        0.001        0.001       95.9
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1681.844        0.014
+84: Performance:     2521.733        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (35 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (24 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
@@ -84244,9 +84273,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       98.2
+84:        Time:        0.001        0.001       97.9
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1256.495        0.019
+84: Performance:     1702.292        0.014
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -84293,9 +84322,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.9
+84:        Time:        0.001        0.001       97.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1347.167        0.018
+84: Performance:     1951.408        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -84352,9 +84381,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       98.0
+84:        Time:        0.001        0.001       97.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1416.880        0.017
+84: Performance:     2058.334        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -84412,9 +84441,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       98.2
+84:        Time:        0.001        0.001       97.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1185.642        0.020
+84: Performance:     2035.214        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 84: 
@@ -84472,9 +84501,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.8
+84:        Time:        0.001        0.001       97.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1347.167        0.018
+84: Performance:     1968.241        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 84: 
@@ -84532,12 +84561,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.5
+84:        Time:        0.001        0.001       95.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1356.660        0.018
+84: Performance:     1944.018        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 (37 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 (25 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
@@ -84593,9 +84622,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.6
+84:        Time:        0.001        0.001       97.4
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1160.624        0.021
+84: Performance:     1489.505        0.016
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -84652,7 +84681,7 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       97.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1907.895        0.013
+84: Performance:     1771.304        0.014
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -84709,9 +84738,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.002        0.002       98.8
+84:        Time:        0.001        0.001       97.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:      805.517        0.030
+84: Performance:     1938.513        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -84769,9 +84798,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.9
+84:        Time:        0.001        0.001       97.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1345.108        0.018
+84: Performance:     1851.696        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 84: 
@@ -84829,9 +84858,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.9
+84:        Time:        0.001        0.001       97.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1320.033        0.018
+84: Performance:     1880.523        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 84: 
@@ -84889,12 +84918,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.9
+84:        Time:        0.001        0.001       97.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1346.284        0.018
+84: Performance:     1768.761        0.014
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (35 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (25 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/18
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
@@ -84942,9 +84971,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       98.2
+84:        Time:        0.001        0.001       97.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1187.928        0.020
+84: Performance:     1487.707        0.016
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -84991,9 +85020,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.9
+84:        Time:        0.001        0.001       97.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1348.051        0.018
+84: Performance:     1838.983        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -85042,9 +85071,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       98.2
+84:        Time:        0.001        0.001       97.4
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1131.214        0.021
+84: Performance:     1948.322        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -85094,9 +85123,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.9
+84:        Time:        0.001        0.001       97.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1282.655        0.019
+84: Performance:     1826.443        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
 84: 
@@ -85146,9 +85175,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       98.0
+84:        Time:        0.001        0.001       97.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1347.756        0.018
+84: Performance:     1855.601        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
 84: 
@@ -85198,12 +85227,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       98.0
+84:        Time:        0.001        0.001       97.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1291.258        0.019
+84: Performance:     1850.028        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/18 (36 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/18 (25 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/19
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
@@ -85247,9 +85276,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.0
+84:        Time:        0.001        0.001       96.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1251.136        0.019
+84: Performance:     1638.892        0.015
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -85292,9 +85321,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.1
+84:        Time:        0.001        0.001       96.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1205.596        0.020
+84: Performance:     1814.074        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -85347,9 +85376,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.6
+84:        Time:        0.001        0.001       96.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2125.809        0.011
+84: Performance:     1948.938        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -85403,9 +85432,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.5
+84:        Time:        0.001        0.001       96.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1221.129        0.020
+84: Performance:     1905.535        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
 84: 
@@ -85459,9 +85488,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.5
+84:        Time:        0.001        0.001       95.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1372.987        0.017
+84: Performance:     1861.769        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
 84: 
@@ -85515,12 +85544,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.5
+84:        Time:        0.001        0.001       97.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1375.133        0.017
+84: Performance:     1645.897        0.015
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/19 (36 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/19 (26 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/20
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_input.mdp]:
@@ -85572,9 +85601,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       94.9
+84:        Time:        0.001        0.001       96.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1228.433        0.020
+84: Performance:     1571.179        0.015
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -85625,9 +85654,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.7
+84:        Time:        0.001        0.001       96.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1654.739        0.015
+84: Performance:     1742.742        0.014
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -85680,9 +85709,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.2
+84:        Time:        0.001        0.001       96.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1249.360        0.019
+84: Performance:     1989.856        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -85736,9 +85765,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.4
+84:        Time:        0.001        0.001       96.9
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1218.231        0.020
+84: Performance:     1862.332        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
 84: 
@@ -85792,9 +85821,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.9
+84:        Time:        0.001        0.001       96.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1241.054        0.019
+84: Performance:     1838.983        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
 84: 
@@ -85848,12 +85877,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.1
+84:        Time:        0.001        0.001       96.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1304.658        0.018
+84: Performance:     1845.042        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/20 (37 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/20 (26 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/21
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_input.mdp]:
@@ -85897,9 +85926,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.002        0.002       97.4
+84:        Time:        0.001        0.001       97.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:      939.545        0.026
+84: Performance:     1578.830        0.015
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -85942,9 +85971,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.0
+84:        Time:        0.001        0.001       96.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1172.776        0.020
+84: Performance:     1749.672        0.014
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -85989,9 +86018,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.8
+84:        Time:        0.001        0.001       96.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1542.462        0.016
+84: Performance:     1965.102        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -86037,9 +86066,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.0
+84:        Time:        0.001        0.001       96.4
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1151.728        0.021
+84: Performance:     1836.790        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
 84: 
@@ -86085,9 +86114,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.6
+84:        Time:        0.001        0.001       96.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1211.047        0.020
+84: Performance:     1781.033        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
 84: 
@@ -86133,12 +86162,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.5
+84:        Time:        0.001        0.001       96.4
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1857.839        0.013
+84: Performance:     1792.955        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/21 (37 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/21 (26 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/22
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
@@ -86182,9 +86211,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.7
+84:        Time:        0.001        0.001       97.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1332.020        0.018
+84: Performance:     1348.937        0.018
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -86227,9 +86256,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.005        0.005       98.7
+84:        Time:        0.001        0.001       96.9
 84:                  (ns/day)    (hour/ns)
-84: Performance:      290.978        0.082
+84: Performance:     1501.485        0.016
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -86282,9 +86311,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.4
+84:        Time:        0.001        0.001       96.9
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1172.330        0.020
+84: Performance:     1604.739        0.015
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -86338,9 +86367,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.3
+84:        Time:        0.001        0.001       96.9
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1131.422        0.021
+84: Performance:     1553.352        0.015
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
 84: 
@@ -86394,9 +86423,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.6
+84:        Time:        0.001        0.001       97.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1105.833        0.022
+84: Performance:     1552.569        0.015
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
 84: 
@@ -86450,12 +86479,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.3
+84:        Time:        0.001        0.001       97.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1111.419        0.022
+84: Performance:     1549.055        0.015
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/22 (45 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/22 (26 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/23
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
@@ -86509,9 +86538,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.002        0.002       97.2
+84:        Time:        0.001        0.001       97.4
 84:                  (ns/day)    (hour/ns)
-84: Performance:      844.727        0.028
+84: Performance:     1000.909        0.024
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -86564,9 +86593,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.002        0.002       97.3
+84:        Time:        0.001        0.001       97.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:      936.260        0.026
+84: Performance:     1133.712        0.021
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -86629,9 +86658,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.002       97.3
+84:        Time:        0.001        0.001       97.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:      956.317        0.025
+84: Performance:     1264.490        0.019
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -86695,9 +86724,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.002        0.002       98.1
+84:        Time:        0.001        0.001       97.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:      652.122        0.037
+84: Performance:     1192.065        0.020
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
 84: 
@@ -86761,9 +86790,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.002        0.002       96.7
+84:        Time:        0.001        0.001       97.4
 84:                  (ns/day)    (hour/ns)
-84: Performance:      944.587        0.025
+84: Performance:     1208.908        0.020
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
 84: 
@@ -86827,12 +86856,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.002        0.002       97.4
+84:        Time:        0.001        0.001       97.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:      949.976        0.025
+84: Performance:     1064.373        0.023
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/23 (40 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/23 (29 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/24
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_input.mdp]:
@@ -86876,9 +86905,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.002        0.002       97.8
+84:        Time:        0.001        0.001       97.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:      924.736        0.026
+84: Performance:     1332.308        0.018
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -86921,9 +86950,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.5
+84:        Time:        0.001        0.001       96.9
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1095.801        0.022
+84: Performance:     1419.492        0.017
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -86968,9 +86997,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.9
+84:        Time:        0.001        0.001       96.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1586.147        0.015
+84: Performance:     1569.578        0.015
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -87016,9 +87045,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.3
+84:        Time:        0.001        0.001       97.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1062.354        0.023
+84: Performance:     1435.032        0.017
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
 84: 
@@ -87064,9 +87093,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.4
+84:        Time:        0.001        0.001       96.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1016.935        0.024
+84: Performance:     1471.362        0.016
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
 84: 
@@ -87112,18 +87141,18 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.4
+84:        Time:        0.001        0.001       96.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1081.375        0.022
+84: Performance:     1422.441        0.017
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/24 (35 ms)
-84: [----------] 25 tests from PropagatorsWithCoupling/PeriodicActionsTest (933 ms total)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/24 (27 ms)
+84: [----------] 25 tests from PropagatorsWithCoupling/PeriodicActionsTest (718 ms total)
 84: 
 84: [----------] Global test environment tear-down
-84: [==========] 25 tests from 1 test suite ran. (942 ms total)
+84: [==========] 25 tests from 1 test suite ran. (726 ms total)
 84: [  PASSED  ] 25 tests.
-84/92 Test #84: MdrunCoordinationCouplingTests1Rank .......   Passed    0.97 sec
+84/92 Test #84: MdrunCoordinationCouplingTests1Rank .......   Passed    0.74 sec
 test 85
       Start 85: MdrunCoordinationCouplingTests2Ranks
 
@@ -87185,18 +87214,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.8%.
-85:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.9%.
+85:  Average load imbalance: 0.6%.
+85:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.3%.
 85: 
 85: 
-85: NOTE: 38 % of the run time was spent communicating energies,
+85: NOTE: 36 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      195.4
+85:        Time:        0.004        0.002      195.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:      779.033        0.031
+85: Performance:      744.303        0.032
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -87247,19 +87276,20 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 0.9%.
-85:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.5%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 7.4%.
+85:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 3.4%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
-85: NOTE: 47 % of the run time was spent communicating energies,
+85: NOTE: 26 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.014        0.007      198.7
+85:        Time:        0.002        0.001      193.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:      210.403        0.114
+85: Performance:     1323.294        0.018
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -87320,23 +87350,24 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.9%.
-85:  The balanceable part of the MD step is 35%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 1.0%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 8.9%.
+85:  The balanceable part of the MD step is 39%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 3.5%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
 85: NOTE: 12 % of the run time was spent in domain decomposition,
-85:       3 % of the run time was spent in pair search,
+85:       6 % of the run time was spent in pair search,
 85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 33 % of the run time was spent communicating energies,
+85: NOTE: 24 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      193.1
+85:        Time:        0.002        0.001      191.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1333.318        0.018
+85: Performance:     1683.452        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -87398,23 +87429,29 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.2%.
-85:  The balanceable part of the MD step is 30%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 13.8%.
+85:  The balanceable part of the MD step is 38%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 5.2%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
+85: NOTE: 5.2 % of the available CPU time was lost due to load imbalance
+85:       in the domain decomposition.
+85:       You can consider manually changing the decomposition (option -dd);
+85:       e.g. by using fewer domains along the box dimension in which there is
+85:       considerable inhomogeneity in the simulated system.
 85: 
-85: NOTE: 16 % of the run time was spent in domain decomposition,
-85:       4 % of the run time was spent in pair search,
+85: NOTE: 12 % of the run time was spent in domain decomposition,
+85:       6 % of the run time was spent in pair search,
 85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 29 % of the run time was spent communicating energies,
+85: NOTE: 23 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.7
+85:        Time:        0.002        0.001      192.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1540.148        0.016
+85: Performance:     1539.186        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 85: 
@@ -87476,23 +87513,29 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.9%.
-85:  The balanceable part of the MD step is 35%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 13.8%.
+85:  The balanceable part of the MD step is 38%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 5.2%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
+85: NOTE: 5.2 % of the available CPU time was lost due to load imbalance
+85:       in the domain decomposition.
+85:       You can consider manually changing the decomposition (option -dd);
+85:       e.g. by using fewer domains along the box dimension in which there is
+85:       considerable inhomogeneity in the simulated system.
 85: 
 85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       4 % of the run time was spent in pair search,
+85:       6 % of the run time was spent in pair search,
 85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 30 % of the run time was spent communicating energies,
+85: NOTE: 23 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.1
+85:        Time:        0.002        0.001      190.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1585.943        0.015
+85: Performance:     1521.322        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 85: 
@@ -87554,22 +87597,27 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.2%.
-85:  The balanceable part of the MD step is 36%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 14.6%.
+85:  The balanceable part of the MD step is 31%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 4.5%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
-85: NOTE: 29 % of the run time was spent communicating energies,
+85: NOTE: 11 % of the run time was spent in domain decomposition,
+85:       8 % of the run time was spent in pair search,
+85:       you might want to increase nstlist (this has no effect on accuracy)
+85: 
+85: NOTE: 21 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.001        0.001      189.8
+85:        Time:        0.002        0.001      192.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:     2065.927        0.012
+85: Performance:     1313.279        0.018
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (238 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (35 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -87629,19 +87677,20 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.1%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 5.6%.
 85:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+85:  Part of the total run time spent waiting due to load imbalance: 2.8%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
-85: NOTE: 27 % of the run time was spent communicating energies,
+85: NOTE: 23 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.7
+85:        Time:        0.002        0.001      193.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1407.975        0.017
+85: Performance:     1155.725        0.021
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -87700,23 +87749,24 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.3%.
-85:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.5%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 6.6%.
+85:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 3.2%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
-85: NOTE: 13 % of the run time was spent in domain decomposition,
-85:       4 % of the run time was spent in pair search,
+85: NOTE: 10 % of the run time was spent in domain decomposition,
+85:       5 % of the run time was spent in pair search,
 85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 24 % of the run time was spent communicating energies,
+85: NOTE: 25 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.8
+85:        Time:        0.002        0.001      193.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1526.033        0.016
+85: Performance:     1277.204        0.019
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -87777,19 +87827,24 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.8%.
-85:  The balanceable part of the MD step is 39%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 10.7%.
+85:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 4.7%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
-85: NOTE: 38 % of the run time was spent communicating energies,
+85: NOTE: 11 % of the run time was spent in domain decomposition,
+85:       5 % of the run time was spent in pair search,
+85:       you might want to increase nstlist (this has no effect on accuracy)
+85: 
+85: NOTE: 25 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      194.6
+85:        Time:        0.002        0.001      192.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:      802.317        0.030
+85: Performance:     1380.989        0.017
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -87851,19 +87906,24 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.6%.
-85:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 1.1%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 10.7%.
+85:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 4.6%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
-85: NOTE: 32 % of the run time was spent communicating energies,
+85: NOTE: 10 % of the run time was spent in domain decomposition,
+85:       5 % of the run time was spent in pair search,
+85:       you might want to increase nstlist (this has no effect on accuracy)
+85: 
+85: NOTE: 26 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      189.6
+85:        Time:        0.002        0.001      192.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1737.581        0.014
+85: Performance:     1360.105        0.018
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 85: 
@@ -87925,19 +87985,20 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.5%.
-85:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 9.6%.
+85:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 4.3%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
-85: NOTE: 33 % of the run time was spent communicating energies,
+85: NOTE: 23 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      189.3
+85:        Time:        0.002        0.001      193.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1732.694        0.014
+85: Performance:     1227.332        0.020
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 85: 
@@ -87999,22 +88060,27 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.2%.
-85:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.9%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 9.7%.
+85:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 4.3%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
-85: NOTE: 32 % of the run time was spent communicating energies,
+85: NOTE: 11 % of the run time was spent in domain decomposition,
+85:       5 % of the run time was spent in pair search,
+85:       you might want to increase nstlist (this has no effect on accuracy)
+85: 
+85: NOTE: 26 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      189.4
+85:        Time:        0.002        0.001      192.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1790.610        0.013
+85: Performance:     1369.021        0.018
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (265 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (33 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -88066,19 +88132,20 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 0.9%.
-85:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.5%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 5.9%.
+85:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 2.9%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
-85: NOTE: 24 % of the run time was spent communicating energies,
+85: NOTE: 23 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.1
+85:        Time:        0.002        0.001      193.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1357.856        0.018
+85: Performance:     1141.379        0.021
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -88129,19 +88196,24 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 0.8%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 7.1%.
 85:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.4%.
+85:  Part of the total run time spent waiting due to load imbalance: 3.3%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+85: 
 85: 
+85: NOTE: 11 % of the run time was spent in domain decomposition,
+85:       5 % of the run time was spent in pair search,
+85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 51 % of the run time was spent communicating energies,
+85: NOTE: 25 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.009        0.005      197.8
+85:        Time:        0.002        0.001      192.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:      322.806        0.074
+85: Performance:     1309.511        0.018
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -88194,19 +88266,24 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.2%.
-85:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.5%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 10.4%.
+85:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 4.7%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+85: 
 85: 
+85: NOTE: 10 % of the run time was spent in domain decomposition,
+85:       5 % of the run time was spent in pair search,
+85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 48 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.015        0.008      198.7
+85:        Time:        0.002        0.001      192.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:      191.139        0.126
+85: Performance:     1368.869        0.018
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -88260,23 +88337,24 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.9%.
-85:  The balanceable part of the MD step is 35%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 9.1%.
+85:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 4.1%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
-85: NOTE: 66 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
+85: NOTE: 11 % of the run time was spent in domain decomposition,
+85:       5 % of the run time was spent in pair search,
 85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 12 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.005        0.003      196.4
+85:        Time:        0.002        0.001      191.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:      578.215        0.042
+85: Performance:     1260.737        0.019
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 85: 
@@ -88330,23 +88408,24 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.4%.
-85:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 9.6%.
+85:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 4.2%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
 85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       4 % of the run time was spent in pair search,
+85:       5 % of the run time was spent in pair search,
 85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 32 % of the run time was spent communicating energies,
+85: NOTE: 26 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.8
+85:        Time:        0.002        0.001      192.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1576.809        0.015
+85: Performance:     1385.649        0.017
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 85: 
@@ -88400,26 +88479,27 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.3%.
-85:  The balanceable part of the MD step is 40%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.5%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 10.7%.
+85:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 4.7%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
 85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       3 % of the run time was spent in pair search,
+85:       5 % of the run time was spent in pair search,
 85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 35 % of the run time was spent communicating energies,
+85: NOTE: 26 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.4
+85:        Time:        0.002        0.001      192.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1212.954        0.020
+85: Performance:     1358.455        0.018
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (112 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (33 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -88471,19 +88551,20 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 0.8%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 5.7%.
 85:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.4%.
+85:  Part of the total run time spent waiting due to load imbalance: 2.8%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
-85: NOTE: 30 % of the run time was spent communicating energies,
+85: NOTE: 23 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      193.3
+85:        Time:        0.002        0.001      193.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1056.796        0.023
+85: Performance:     1195.187        0.020
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -88534,19 +88615,24 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.5%.
-85:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 9.7%.
+85:  The balanceable part of the MD step is 36%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 3.5%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
-85: NOTE: 27 % of the run time was spent communicating energies,
+85: NOTE: 17 % of the run time was spent in domain decomposition,
+85:       4 % of the run time was spent in pair search,
+85:       you might want to increase nstlist (this has no effect on accuracy)
+85: 
+85: NOTE: 22 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.0
+85:        Time:        0.004        0.002      196.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1763.445        0.014
+85: Performance:      671.967        0.036
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -88599,20 +88685,24 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.5%.
-85:  The balanceable part of the MD step is 3%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.0%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 9.4%.
+85:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 4.2%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
-85: NOTE: 89 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
+85: NOTE: 11 % of the run time was spent in domain decomposition,
+85:       5 % of the run time was spent in pair search,
 85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
+85: NOTE: 25 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.015        0.007      198.8
+85:        Time:        0.002        0.001      192.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:      198.001        0.121
+85: Performance:     1410.392        0.017
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -88666,23 +88756,24 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.0%.
-85:  The balanceable part of the MD step is 40%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 10.7%.
+85:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 4.6%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
 85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       4 % of the run time was spent in pair search,
+85:       5 % of the run time was spent in pair search,
 85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 32 % of the run time was spent communicating energies,
+85: NOTE: 25 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.4
+85:        Time:        0.002        0.001      192.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1615.893        0.015
+85: Performance:     1318.338        0.018
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 85: 
@@ -88736,23 +88827,29 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.0%.
-85:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 14.6%.
+85:  The balanceable part of the MD step is 37%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 5.4%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
+85: NOTE: 5.4 % of the available CPU time was lost due to load imbalance
+85:       in the domain decomposition.
+85:       You can consider manually changing the decomposition (option -dd);
+85:       e.g. by using fewer domains along the box dimension in which there is
+85:       considerable inhomogeneity in the simulated system.
 85: 
-85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       4 % of the run time was spent in pair search,
+85: NOTE: 15 % of the run time was spent in domain decomposition,
+85:       6 % of the run time was spent in pair search,
 85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 32 % of the run time was spent communicating energies,
+85: NOTE: 21 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.4
+85:        Time:        0.003        0.002      195.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1591.473        0.015
+85: Performance:      931.377        0.026
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 85: 
@@ -88807,21 +88904,25 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.7%.
-85:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+85:  Average load imbalance: 4.3%.
+85:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 1.7%.
 85: 
 85: 
-85: NOTE: 70 % of the run time was spent communicating energies,
+85: NOTE: 10 % of the run time was spent in domain decomposition,
+85:       5 % of the run time was spent in pair search,
+85:       you might want to increase nstlist (this has no effect on accuracy)
+85: 
+85: NOTE: 23 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      195.0
+85:        Time:        0.002        0.001      193.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:      834.486        0.029
+85: Performance:     1218.110        0.020
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (215 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (37 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -88867,13 +88968,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 32 % of the run time was spent communicating energies,
+85: NOTE: 26 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
 85:        Time:        0.002        0.001      193.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1174.229        0.020
+85: Performance:     1317.915        0.018
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -88918,13 +89019,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 33 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.6
+85:        Time:        0.002        0.001      192.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1261.641        0.019
+85: Performance:     1390.967        0.017
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -88979,13 +89080,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 35 % of the run time was spent communicating energies,
+85: NOTE: 26 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.9
+85:        Time:        0.002        0.001      191.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1384.248        0.017
+85: Performance:     1696.666        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -89041,13 +89142,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 37 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.5
+85:        Time:        0.002        0.001      190.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1408.136        0.017
+85: Performance:     1699.005        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 85: 
@@ -89103,13 +89204,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 33 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.6
+85:        Time:        0.002        0.001      191.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1758.411        0.014
+85: Performance:     1649.423        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 85: 
@@ -89165,20 +89266,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 56 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      194.2
+85:        Time:        0.002        0.001      191.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1077.309        0.022
+85: Performance:     1632.162        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (532 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (62 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
@@ -89232,13 +89329,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 26 % of the run time was spent communicating energies,
+85: NOTE: 25 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.4
+85:        Time:        0.002        0.001      193.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1614.411        0.015
+85: Performance:     1320.882        0.018
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -89291,13 +89388,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 66 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.021        0.011      198.9
+85:        Time:        0.002        0.001      192.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:      137.045        0.175
+85: Performance:     1431.198        0.017
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -89352,13 +89449,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 30 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.001        0.001      178.3
+85:        Time:        0.002        0.001      191.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:     2104.387        0.011
+85: Performance:     1581.870        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -89414,13 +89511,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 36 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.8
+85:        Time:        0.002        0.001      191.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1310.068        0.018
+85: Performance:     1511.246        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 85: 
@@ -89476,13 +89573,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 37 % of the run time was spent communicating energies,
+85: NOTE: 30 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.3
+85:        Time:        0.002        0.001      191.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1279.592        0.019
+85: Performance:     1636.497        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 85: 
@@ -89538,16 +89635,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 37 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.9
+85:        Time:        0.002        0.001      188.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1245.193        0.019
+85: Performance:     1526.033        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (131 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (34 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
@@ -89593,13 +89690,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 33 % of the run time was spent communicating energies,
+85: NOTE: 25 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      193.1
+85:        Time:        0.002        0.001      193.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1009.851        0.024
+85: Performance:     1269.179        0.019
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -89644,13 +89741,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 65 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.022        0.011      198.9
+85:        Time:        0.002        0.001      192.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:      131.900        0.182
+85: Performance:     1462.282        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -89697,13 +89794,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 32 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.001        0.001      188.5
+85:        Time:        0.002        0.001      191.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:     2085.862        0.012
+85: Performance:     1523.203        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -89751,13 +89848,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 37 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.6
+85:        Time:        0.002        0.001      191.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1269.048        0.019
+85: Performance:     1584.311        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 85: 
@@ -89805,13 +89902,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 37 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.8
+85:        Time:        0.002        0.001      191.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1299.566        0.018
+85: Performance:     1572.984        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 85: 
@@ -89859,16 +89956,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 81 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.018        0.009      198.3
+85:        Time:        0.002        0.001      191.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:      166.150        0.144
+85: Performance:     1589.011        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (123 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (34 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -89914,13 +90011,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 26 % of the run time was spent communicating energies,
+85: NOTE: 25 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.6
+85:        Time:        0.002        0.001      193.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1600.986        0.015
+85: Performance:     1306.872        0.018
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -89965,13 +90062,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 65 % of the run time was spent communicating energies,
+85: NOTE: 26 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.022        0.011      199.0
+85:        Time:        0.002        0.001      192.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:      131.297        0.183
+85: Performance:     1434.030        0.017
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -90018,13 +90115,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 30 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.001        0.001      188.7
+85:        Time:        0.002        0.001      191.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:     2267.008        0.011
+85: Performance:     1593.944        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -90072,17 +90169,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 12 % of the run time was spent in domain decomposition,
-85:       0 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 50 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.450        0.225      200.0
+85:        Time:        0.002        0.001      191.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:        6.529        3.676
+85: Performance:     1507.363        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 85: 
@@ -90130,17 +90223,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       2 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 35 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.6
+85:        Time:        0.002        0.001      191.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1234.712        0.019
+85: Performance:     1520.383        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 85: 
@@ -90188,16 +90277,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 48 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.014        0.007      198.6
+85:        Time:        0.002        0.001      191.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:      202.948        0.118
+85: Performance:     1415.415        0.017
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (986 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (34 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
@@ -90248,17 +90337,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 13 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 50 % of the run time was spent communicating energies,
+85: NOTE: 25 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      195.1
+85:        Time:        0.002        0.001      192.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:      835.561        0.029
+85: Performance:     1351.156        0.018
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -90308,13 +90393,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 82 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.011        0.006      197.6
+85:        Time:        0.002        0.001      192.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:      259.760        0.092
+85: Performance:     1538.226        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -90374,13 +90459,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 47 % of the run time was spent communicating energies,
+85: NOTE: 25 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.012        0.006      198.5
+85:        Time:        0.002        0.001      192.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:      242.974        0.099
+85: Performance:     1620.356        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -90441,13 +90526,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 85 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.026        0.035       75.0
+85:        Time:        0.002        0.001      191.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:       41.810        0.574
+85: Performance:     1702.998        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 85: 
@@ -90508,17 +90593,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 85 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 5 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.010        0.005      198.3
+85:        Time:        0.002        0.001      191.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:      301.369        0.080
+85: Performance:     1660.090        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 85: 
@@ -90579,16 +90660,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 40 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      193.9
+85:        Time:        0.002        0.001      191.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:      891.806        0.027
+85: Performance:     1699.240        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (610 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (33 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
@@ -90647,14 +90728,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 89 % of the run time was spent in domain decomposition,
-85:       0 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
+85: NOTE: 25 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.034        0.017      199.4
+85:        Time:        0.002        0.001      192.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:       87.104        0.276
+85: Performance:     1316.507        0.018
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -90712,13 +90792,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 31 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.6
+85:        Time:        0.002        0.001      192.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1269.440        0.019
+85: Performance:     1480.556        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -90778,17 +90858,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       2 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 33 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.1
+85:        Time:        0.002        0.001      191.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1341.885        0.018
+85: Performance:     1626.774        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -90849,17 +90925,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 13 % of the run time was spent in domain decomposition,
-85:       2 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 53 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      193.3
+85:        Time:        0.002        0.001      191.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:      988.463        0.024
+85: Performance:     1554.332        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 85: 
@@ -90920,13 +90992,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 55 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        1.000        0.516      193.8
+85:        Time:        0.002        0.001      191.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:        2.847        8.429
+85: Performance:     1569.778        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 85: 
@@ -90987,16 +91059,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 48 % of the run time was spent communicating energies,
+85: NOTE: 30 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.014        0.007      198.5
+85:        Time:        0.002        0.001      191.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:      204.013        0.118
+85: Performance:     1496.379        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (2061 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (33 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
@@ -91047,13 +91119,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 35 % of the run time was spent communicating energies,
+85: NOTE: 25 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      194.1
+85:        Time:        0.002        0.001      192.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:      886.608        0.027
+85: Performance:     1220.282        0.020
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -91103,13 +91175,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 33 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.9
+85:        Time:        0.002        0.001      192.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1244.313        0.019
+85: Performance:     1496.561        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -91161,14 +91233,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 84 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
+85: NOTE: 27 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.009        0.004      198.2
+85:        Time:        0.002        0.001      192.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:      331.911        0.072
+85: Performance:     1528.494        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -91221,13 +91292,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 33 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.001        0.001      188.1
+85:        Time:        0.002        0.001      191.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:     2056.273        0.012
+85: Performance:     1560.236        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 85: 
@@ -91280,13 +91351,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 33 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.001        0.001      187.9
+85:        Time:        0.002        0.001      172.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:     2146.922        0.011
+85: Performance:     1390.496        0.017
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 85: 
@@ -91339,16 +91410,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 37 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.1
+85:        Time:        0.002        0.001      191.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1334.762        0.018
+85: Performance:     1581.870        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (103 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (34 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
@@ -91399,13 +91470,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 31 % of the run time was spent communicating energies,
+85: NOTE: 24 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      193.4
+85:        Time:        0.002        0.001      192.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1132.983        0.021
+85: Performance:     1290.717        0.019
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -91455,13 +91526,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 31 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.7
+85:        Time:        0.002        0.001      192.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1223.068        0.020
+85: Performance:     1460.202        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -91513,13 +91584,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 88 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.009        0.005      197.8
+85:        Time:        0.002        0.001      191.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:      311.779        0.077
+85: Performance:     1593.532        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -91572,13 +91643,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 34 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.4
+85:        Time:        0.002        0.001      191.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1744.964        0.014
+85: Performance:     1475.061        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 85: 
@@ -91631,13 +91702,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 34 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      189.8
+85:        Time:        0.002        0.001      191.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1763.950        0.014
+85: Performance:     1571.781        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 85: 
@@ -91690,16 +91761,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 34 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      189.8
+85:        Time:        0.002        0.001      191.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1749.175        0.014
+85: Performance:     1577.415        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (190 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (34 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
@@ -91745,13 +91816,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 29 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.005       38.7
+85:        Time:        0.002        0.001      194.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:      289.074        0.083
+85: Performance:     1262.934        0.019
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -91796,13 +91867,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 32 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.7
+85:        Time:        0.002        0.001      193.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1562.017        0.015
+85: Performance:     1470.660        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -91857,13 +91928,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 30 % of the run time was spent communicating energies,
+85: NOTE: 25 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.001        0.001      190.4
+85:        Time:        0.002        0.001      192.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     2190.433        0.011
+85: Performance:     1721.317        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -91919,13 +91990,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 35 % of the run time was spent communicating energies,
+85: NOTE: 26 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      193.0
+85:        Time:        0.002        0.001      192.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1399.817        0.017
+85: Performance:     1666.376        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 85: 
@@ -91981,13 +92052,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 39 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.4
+85:        Time:        0.002        0.001      192.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1275.881        0.019
+85: Performance:     1612.088        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 85: 
@@ -92043,16 +92114,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 64 % of the run time was spent communicating energies,
+85: NOTE: 24 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.013        0.007      198.6
+85:        Time:        0.002        0.001      192.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:      217.762        0.110
+85: Performance:     1611.034        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (170 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (34 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
@@ -92106,13 +92177,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 85 % of the run time was spent communicating energies,
+85: NOTE: 30 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.026        0.023      114.0
+85:        Time:        0.002        0.001      192.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:       63.418        0.378
+85: Performance:     1203.946        0.020
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -92165,13 +92236,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 47 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.014        0.007      198.7
+85:        Time:        0.002        0.001      192.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:      205.203        0.117
+85: Performance:     1478.424        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -92226,17 +92297,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 83 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 5 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.008        0.004      198.2
+85:        Time:        0.002        0.001      192.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:      346.880        0.069
+85: Performance:     1532.105        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -92292,13 +92359,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 35 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.0
+85:        Time:        0.002        0.001      192.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1595.802        0.015
+85: Performance:     1485.196        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 85: 
@@ -92354,13 +92421,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 37 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      193.0
+85:        Time:        0.002        0.001      192.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1282.522        0.019
+85: Performance:     1483.229        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 85: 
@@ -92416,20 +92483,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 81 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 6 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.008        0.004      198.0
+85:        Time:        0.002        0.001      192.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:      343.908        0.070
+85: Performance:     1470.835        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (181 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (34 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]:
@@ -92475,13 +92538,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 29 % of the run time was spent communicating energies,
+85: NOTE: 25 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.5
+85:        Time:        0.002        0.001      193.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1423.263        0.017
+85: Performance:     1324.289        0.018
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -92526,17 +92589,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 35 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      195.3
+85:        Time:        0.002        0.001      193.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:      924.945        0.026
+85: Performance:     1406.849        0.017
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -92583,17 +92642,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 36 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      194.8
+85:        Time:        0.002        0.001      192.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1058.703        0.023
+85: Performance:     1622.703        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -92641,17 +92696,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 37 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      194.8
+85:        Time:        0.002        0.001      192.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1000.909        0.024
+85: Performance:     1515.708        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 85: 
@@ -92699,17 +92750,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 38 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      194.4
+85:        Time:        0.002        0.001      192.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1003.681        0.024
+85: Performance:     1558.066        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 85: 
@@ -92757,20 +92804,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 37 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      195.0
+85:        Time:        0.002        0.001      192.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:      987.908        0.024
+85: Performance:     1537.074        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (86 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (33 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
@@ -92816,13 +92859,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 35 % of the run time was spent communicating energies,
+85: NOTE: 25 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      195.5
+85:        Time:        0.002        0.001      193.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:      831.614        0.029
+85: Performance:     1232.858        0.019
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -92867,17 +92910,17 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
+85: NOTE: 12 % of the run time was spent in domain decomposition,
+85:       2 % of the run time was spent in pair search,
 85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 35 % of the run time was spent communicating energies,
+85: NOTE: 26 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      195.2
+85:        Time:        0.004        0.002      191.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:      929.480        0.026
+85: Performance:      738.193        0.033
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -92924,17 +92967,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 36 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      194.6
+85:        Time:        0.004        0.002      191.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1070.756        0.022
+85: Performance:      747.463        0.032
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -92982,17 +93021,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 37 % of the run time was spent communicating energies,
+85: NOTE: 32 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      194.9
+85:        Time:        0.003        0.002      189.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1006.469        0.024
+85: Performance:      912.073        0.026
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
 85: 
@@ -93040,17 +93075,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 37 % of the run time was spent communicating energies,
+85: NOTE: 32 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      194.8
+85:        Time:        0.003        0.001      190.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:      995.571        0.024
+85: Performance:      991.565        0.024
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
 85: 
@@ -93098,20 +93129,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 37 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      194.5
+85:        Time:        0.003        0.002      191.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1001.967        0.024
+85: Performance:      949.903        0.025
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (87 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (66 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
@@ -93164,18 +93191,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.4%.
-85:  The balanceable part of the MD step is 60%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 1.5%.
+85:  Average load imbalance: 1.7%.
+85:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 1.0%.
 85: 
 85: 
 85: NOTE: 6 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.0
+85:        Time:        0.005        0.002      192.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1130.384        0.021
+85: Performance:      623.037        0.039
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -93227,15 +93254,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.4%.
-85:  The balanceable part of the MD step is 58%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+85:  Average load imbalance: 1.1%.
+85:  The balanceable part of the MD step is 62%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+85: 
 85: 
+85: NOTE: 5 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      185.9
+85:        Time:        0.005        0.003      191.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:      662.536        0.036
+85: Performance:      557.823        0.043
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -93297,15 +93327,15 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.8%.
-85:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.9%.
+85:  Average load imbalance: 2.6%.
+85:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 1.3%.
 85: 
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      184.0
+85:        Time:        0.003        0.002      188.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:      697.926        0.034
+85: Performance:      821.686        0.029
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -93368,15 +93398,15 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.4%.
-85:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 1.1%.
+85:  Average load imbalance: 3.5%.
+85:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 1.6%.
 85: 
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      183.8
+85:        Time:        0.004        0.002      191.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:      695.916        0.034
+85: Performance:      632.537        0.038
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 85: 
@@ -93438,16 +93468,17 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.7%.
-85:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 1.2%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 5.1%.
+85:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 2.4%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      184.5
+85:        Time:        0.003        0.002      189.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:      732.837        0.033
+85: Performance:      821.522        0.029
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 85: 
@@ -93509,19 +93540,20 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.8%.
-85:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 1.3%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 6.1%.
+85:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 2.8%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      185.0
+85:        Time:        0.003        0.002      189.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:      713.238        0.034
+85: Performance:      878.767        0.027
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 (83 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 (112 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
@@ -93582,15 +93614,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.2%.
+85:  Average load imbalance: 1.8%.
 85:  The balanceable part of the MD step is 58%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 1.3%.
+85:  Part of the total run time spent waiting due to load imbalance: 1.0%.
 85: 
 85: 
+85: NOTE: 7 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.005        0.010       53.1
+85:        Time:        0.004        0.002      191.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:      151.971        0.158
+85: Performance:      669.193        0.036
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -93650,22 +93685,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.4%.
-85:  The balanceable part of the MD step is 54%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.8%.
-85: 
+85:  Average load imbalance: 2.8%.
+85:  The balanceable part of the MD step is 56%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 1.6%.
 85: 
-85: NOTE: 50 % of the run time was spent in domain decomposition,
-85:       0 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 27 % of the run time was spent communicating energies,
+85: NOTE: 8 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.030        0.015      198.2
+85:        Time:        0.004        0.002      187.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:       95.668        0.251
+85: Performance:      713.073        0.034
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -93727,18 +93758,22 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.9%.
-85:  The balanceable part of the MD step is 3%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.1%.
+85:  Average load imbalance: 3.0%.
+85:  The balanceable part of the MD step is 36%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 1.1%.
 85: 
 85: 
-85: NOTE: 63 % of the run time was spent communicating energies,
+85: NOTE: 10 % of the run time was spent in domain decomposition,
+85:       3 % of the run time was spent in pair search,
+85:       you might want to increase nstlist (this has no effect on accuracy)
+85: 
+85: NOTE: 20 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.030        0.015      198.3
+85:        Time:        0.004        0.002      192.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:       96.216        0.249
+85: Performance:      675.467        0.036
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -93800,16 +93835,24 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.1%.
-85:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 3.8%.
+85:  The balanceable part of the MD step is 54%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 2.1%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+85: 
+85: 
+85: NOTE: 11 % of the run time was spent in domain decomposition,
+85:       4 % of the run time was spent in pair search,
+85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
+85: NOTE: 7 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      185.3
+85:        Time:        0.004        0.002      191.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:      654.060        0.037
+85: Performance:      730.231        0.033
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 85: 
@@ -93871,19 +93914,20 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.7%.
-85:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.9%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 4.9%.
+85:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 2.4%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
-85: NOTE: 5 % of the run time was spent communicating energies,
+85: NOTE: 7 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.0
+85:        Time:        0.004        0.002      191.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1330.869        0.018
+85: Performance:      793.738        0.030
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 85: 
@@ -93945,19 +93989,23 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.3%.
-85:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 5.2%.
+85:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 2.2%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+85: 
 85: 
+85: NOTE: 7 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      185.4
+85:        Time:        0.004        0.002      192.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:      641.461        0.037
+85: Performance:      740.589        0.032
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (174 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (50 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/18
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
@@ -94010,15 +94058,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.7%.
-85:  The balanceable part of the MD step is 60%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 1.0%.
+85:  Average load imbalance: 1.5%.
+85:  The balanceable part of the MD step is 57%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 85: 
 85: 
+85: NOTE: 8 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.005        0.003      188.6
+85:        Time:        0.004        0.002      192.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:      535.587        0.045
+85: Performance:      731.228        0.033
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -94069,16 +94120,20 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.9%.
-85:  The balanceable part of the MD step is 3%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.1%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 4.1%.
+85:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 2.3%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+85: 
 85: 
+85: NOTE: 9 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.021        0.011      196.8
+85:        Time:        0.004        0.002      192.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:      137.883        0.174
+85: Performance:      638.602        0.038
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -94132,18 +94187,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.1%.
+85:  Average load imbalance: 0.7%.
 85:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+85:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 85: 
 85: 
-85: NOTE: 6 % of the run time was spent communicating energies,
+85: NOTE: 5 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.5
+85:        Time:        0.003        0.001      189.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1335.775        0.018
+85: Performance:     1079.291        0.022
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -94197,19 +94252,20 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.6%.
-85:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 7.9%.
+85:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 4.0%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
-85: NOTE: 5 % of the run time was spent communicating energies,
+85: NOTE: 9 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.2
+85:        Time:        0.003        0.002      191.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1293.291        0.019
+85: Performance:      925.570        0.026
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
 85: 
@@ -94263,16 +94319,20 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.2%.
-85:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 8.4%.
+85:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 4.0%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+85: 
 85: 
+85: NOTE: 8 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.010       42.7
+85:        Time:        0.003        0.002      192.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:      148.731        0.161
+85: Performance:      908.039        0.026
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
 85: 
@@ -94326,22 +94386,23 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.3%.
-85:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 4.0%.
+85:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 2.0%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
-85: NOTE: 37 % of the run time was spent communicating energies,
+85: NOTE: 7 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.020        0.011      188.2
+85:        Time:        0.003        0.001      190.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:      137.688        0.174
+85: Performance:     1027.879        0.023
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/18 (115 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/18 (41 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/19
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
@@ -94387,13 +94448,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 6 % of the run time was spent communicating energies,
+85: NOTE: 9 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.0
+85:        Time:        0.003        0.002      190.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1185.185        0.020
+85: Performance:      837.834        0.029
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -94438,10 +94499,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 10 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      183.8
+85:        Time:        0.003        0.002      189.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:      675.060        0.036
+85: Performance:      942.131        0.025
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -94496,10 +94560,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 7 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      182.4
+85:        Time:        0.003        0.001      189.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:      745.383        0.032
+85: Performance:     1012.007        0.024
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -94555,10 +94622,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 8 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      183.9
+85:        Time:        0.003        0.001      189.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:      697.255        0.034
+85: Performance:      991.485        0.024
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
 85: 
@@ -94614,10 +94684,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 6 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.020        0.010      196.9
+85:        Time:        0.003        0.002      190.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:      142.223        0.169
+85: Performance:      847.749        0.028
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
 85: 
@@ -94673,13 +94746,16 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 7 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.018        0.009      196.7
+85:        Time:        0.003        0.001      189.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:      160.935        0.149
+85: Performance:      995.812        0.024
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/19 (105 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/19 (54 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/20
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_input.mdp]:
@@ -94733,10 +94809,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 9 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.005        0.003      186.4
+85:        Time:        0.003        0.002      191.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:      547.195        0.044
+85: Performance:      818.901        0.029
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -94789,10 +94868,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 9 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      185.0
+85:        Time:        0.003        0.002      191.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:      674.838        0.036
+85: Performance:      833.357        0.029
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -94847,10 +94929,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 9 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      182.1
+85:        Time:        0.003        0.002      190.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:      687.720        0.035
+85: Performance:      903.777        0.027
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -94906,10 +94991,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 10 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      184.0
+85:        Time:        0.003        0.002      190.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:      677.621        0.035
+85: Performance:      902.188        0.027
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
 85: 
@@ -94965,10 +95053,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 11 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.020        0.010      196.5
+85:        Time:        0.003        0.002      190.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:      142.233        0.169
+85: Performance:      898.701        0.027
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
 85: 
@@ -95024,16 +95115,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 6 % of the run time was spent communicating energies,
+85: NOTE: 10 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      188.2
+85:        Time:        0.003        0.002      190.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1348.051        0.018
+85: Performance:      977.562        0.025
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/20 (103 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/20 (40 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/21
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_input.mdp]:
@@ -95079,10 +95170,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 9 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.005        0.009       50.2
+85:        Time:        0.003        0.002      190.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:      155.683        0.154
+85: Performance:      800.337        0.030
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -95127,10 +95221,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 10 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      179.6
+85:        Time:        0.004        0.002      182.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:      631.985        0.038
+85: Performance:      721.170        0.033
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -95177,10 +95274,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 8 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      183.7
+85:        Time:        0.005        0.002      185.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:      687.835        0.035
+85: Performance:      594.824        0.040
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -95228,10 +95328,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 8 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.126        0.063      199.7
+85:        Time:        0.003        0.002      182.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:       23.258        1.032
+85: Performance:      812.636        0.030
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
 85: 
@@ -95279,10 +95382,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 8 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      186.3
+85:        Time:        0.004        0.002      190.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1097.558        0.022
+85: Performance:      783.840        0.031
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
 85: 
@@ -95330,13 +95436,16 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 9 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      185.3
+85:        Time:        0.005        0.003      189.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:      834.712        0.029
+85: Performance:      537.973        0.045
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/21 (918 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/21 (49 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/22
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
@@ -95382,10 +95491,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 11 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      187.8
+85:        Time:        0.007        0.004      190.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:      747.917        0.032
+85: Performance:      406.640        0.059
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -95430,10 +95542,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 13 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      187.7
+85:        Time:        0.006        0.003      190.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:      805.096        0.030
+85: Performance:      479.685        0.050
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -95488,13 +95603,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 5 % of the run time was spent communicating energies,
+85: NOTE: 9 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      188.3
+85:        Time:        0.006        0.003      189.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1019.881        0.024
+85: Performance:      496.062        0.048
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -95550,10 +95665,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 9 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      187.5
+85:        Time:        0.006        0.003      194.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1011.675        0.024
+85: Performance:      504.120        0.048
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
 85: 
@@ -95609,10 +95727,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 12 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.288        0.144      199.8
+85:        Time:        0.005        0.003      188.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:       10.199        2.353
+85: Performance:      548.804        0.044
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
 85: 
@@ -95668,13 +95789,16 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 17 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.005        0.002      185.8
+85:        Time:        0.008        0.004      191.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:      596.235        0.040
+85: Performance:      358.205        0.067
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/22 (819 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/22 (65 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/23
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
@@ -95730,10 +95854,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 11 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      189.0
+85:        Time:        0.008        0.004      189.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:      662.038        0.036
+85: Performance:      361.665        0.066
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -95788,10 +95915,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 14 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.129        0.064      199.5
+85:        Time:        0.010        0.005      188.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:       22.800        1.053
+85: Performance:      279.436        0.086
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -95856,10 +95986,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 9 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.005        0.002      187.5
+85:        Time:        0.010        0.005      193.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:      601.415        0.040
+85: Performance:      295.905        0.081
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -95925,10 +96058,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 11 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      186.5
+85:        Time:        0.009        0.005      190.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:      658.958        0.036
+85: Performance:      311.361        0.077
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
 85: 
@@ -95994,10 +96130,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 20 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      190.6
+85:        Time:        0.006        0.003      194.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:      894.395        0.027
+85: Performance:      517.784        0.046
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
 85: 
@@ -96063,13 +96202,16 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 19 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.017        0.009      197.9
+85:        Time:        0.006        0.003      194.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:      169.971        0.141
+85: Performance:      505.174        0.048
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/23 (554 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/23 (80 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/24
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_input.mdp]:
@@ -96115,10 +96257,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 15 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      188.2
+85:        Time:        0.004        0.002      192.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:      742.732        0.032
+85: Performance:      643.976        0.037
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -96163,10 +96308,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 17 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      187.7
+85:        Time:        0.004        0.002      193.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:      792.869        0.030
+85: Performance:      653.713        0.037
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -96213,10 +96361,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 13 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      186.7
+85:        Time:        0.003        0.002      191.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:      848.508        0.028
+85: Performance:      903.512        0.027
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -96264,10 +96415,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 15 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      186.9
+85:        Time:        0.004        0.002      193.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:      817.326        0.029
+85: Performance:      709.092        0.034
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
 85: 
@@ -96315,10 +96469,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 16 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      186.4
+85:        Time:        0.004        0.002      192.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:      833.019        0.029
+85: Performance:      729.021        0.033
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
 85: 
@@ -96366,19 +96523,22 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 15 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      186.9
+85:        Time:        0.004        0.002      192.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:      809.965        0.030
+85: Performance:      736.429        0.033
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/24 (102 ms)
-85: [----------] 25 tests from PropagatorsWithCoupling/PeriodicActionsTest (9077 ms total)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/24 (40 ms)
+85: [----------] 25 tests from PropagatorsWithCoupling/PeriodicActionsTest (1149 ms total)
 85: 
 85: [----------] Global test environment tear-down
-85: [==========] 25 tests from 1 test suite ran. (9084 ms total)
+85: [==========] 25 tests from 1 test suite ran. (1156 ms total)
 85: [  PASSED  ] 25 tests.
-85/92 Test #85: MdrunCoordinationCouplingTests2Ranks ......   Passed    9.10 sec
+85/92 Test #85: MdrunCoordinationCouplingTests2Ranks ......   Passed    1.17 sec
 test 86
       Start 86: MdrunCoordinationConstraintsTests1Rank
 
@@ -96444,9 +96604,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.008        0.008       99.5
+86:        Time:        0.001        0.001       96.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:      189.814        0.126
+86: Performance:     1802.925        0.013
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -96502,9 +96662,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.2
+86:        Time:        0.001        0.001       95.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1692.471        0.014
+86: Performance:     2195.507        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -96570,9 +96730,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.002       97.6
+86:        Time:        0.001        0.001       94.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:      966.671        0.025
+86: Performance:     2622.645        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -96639,9 +96799,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.3
+86:        Time:        0.001        0.001       95.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:      895.696        0.027
+86: Performance:     2488.123        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 86: 
@@ -96708,9 +96868,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.005        0.005       99.1
+86:        Time:        0.001        0.001       94.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:      271.559        0.088
+86: Performance:     2530.018        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 86: 
@@ -96777,12 +96937,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.2
+86:        Time:        0.001        0.001       95.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1159.532        0.021
+86: Performance:     2481.109        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (1592 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (822 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -96839,9 +96999,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.2
+86:        Time:        0.001        0.001       96.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1098.733        0.022
+86: Performance:     1836.790        0.013
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -96897,9 +97057,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.3
+86:        Time:        0.001        0.001       93.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1150.008        0.021
+86: Performance:     2111.962        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -96957,9 +97117,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.002       97.8
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:      958.698        0.025
+86: Performance:     2521.733        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -97018,9 +97178,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.6
+86:        Time:        0.001        0.001       95.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:      943.285        0.025
+86: Performance:     2373.110        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 86: 
@@ -97079,9 +97239,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.6
+86:        Time:        0.001        0.001       95.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:      936.545        0.026
+86: Performance:     2414.972        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 86: 
@@ -97140,12 +97300,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       94.8
+86:        Time:        0.001        0.001       95.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2423.522        0.010
+86: Performance:     2384.131        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (1332 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (785 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -97202,9 +97362,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.5
+86:        Time:        0.001        0.001       96.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1828.612        0.013
+86: Performance:     1866.847        0.013
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -97260,9 +97420,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.005        0.005       99.2
+86:        Time:        0.001        0.001       95.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:      270.178        0.089
+86: Performance:     2205.726        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -97320,9 +97480,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.8
+86:        Time:        0.001        0.001       95.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:      981.611        0.024
+86: Performance:     2413.080        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -97381,9 +97541,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.006        0.006       99.3
+86:        Time:        0.001        0.001       95.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:      231.332        0.104
+86: Performance:     2411.191        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 86: 
@@ -97442,9 +97602,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.6
+86:        Time:        0.001        0.001       95.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:      953.505        0.025
+86: Performance:     2394.323        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 86: 
@@ -97503,12 +97663,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.7
+86:        Time:        0.001        0.001       95.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1815.143        0.013
+86: Performance:     2143.561        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (2253 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (788 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -97563,7 +97723,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       96.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1621.636        0.015
+86: Performance:     1847.809        0.013
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -97615,9 +97775,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.2
+86:        Time:        0.001        0.001       95.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1767.239        0.014
+86: Performance:     2258.282        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -97679,9 +97839,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.9
+86:        Time:        0.001        0.001       95.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1922.182        0.012
+86: Performance:     2607.107        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -97744,9 +97904,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.7
+86:        Time:        0.001        0.001       95.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:      876.703        0.027
+86: Performance:     2394.323        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 86: 
@@ -97809,9 +97969,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.5
+86:        Time:        0.001        0.001       95.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1030.372        0.023
+86: Performance:     2454.420        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 86: 
@@ -97874,12 +98034,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.8
+86:        Time:        0.001        0.001       95.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:      850.206        0.028
+86: Performance:     2483.109        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (1628 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (788 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -97932,9 +98092,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.4
+86:        Time:        0.001        0.001       96.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:      897.130        0.027
+86: Performance:     1848.363        0.013
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -97986,9 +98146,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.4
+86:        Time:        0.001        0.001       93.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2069.397        0.012
+86: Performance:     2104.747        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -98042,9 +98202,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       94.7
+86:        Time:        0.001        0.001       95.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2541.499        0.009
+86: Performance:     2552.027        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -98099,9 +98259,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.7
+86:        Time:        0.001        0.001       95.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1997.598        0.012
+86: Performance:     2340.651        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 86: 
@@ -98156,9 +98316,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.7
+86:        Time:        0.001        0.001       94.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1886.859        0.013
+86: Performance:     2405.542        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 86: 
@@ -98213,12 +98373,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.6
+86:        Time:        0.001        0.001       95.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1942.792        0.012
+86: Performance:     2441.773        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (1614 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (783 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
@@ -98271,9 +98431,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.2
+86:        Time:        0.001        0.001       96.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1308.537        0.018
+86: Performance:     1858.960        0.013
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -98325,9 +98485,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.2
+86:        Time:        0.001        0.001       95.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:      922.245        0.026
+86: Performance:     2154.807        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -98381,9 +98541,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.002       97.7
+86:        Time:        0.001        0.001       95.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:      975.240        0.025
+86: Performance:     2457.357        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -98438,9 +98598,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.002       97.5
+86:        Time:        0.001        0.001       95.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:      967.582        0.025
+86: Performance:     2369.459        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 86: 
@@ -98497,7 +98657,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       95.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1982.173        0.012
+86: Performance:     2417.815        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 86: 
@@ -98552,12 +98712,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.002       97.4
+86:        Time:        0.001        0.001       95.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:      960.492        0.025
+86: Performance:     2287.632        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (1513 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (781 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
@@ -98610,9 +98770,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.9
+86:        Time:        0.001        0.001       97.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:      834.430        0.029
+86: Performance:     1810.342        0.013
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -98664,9 +98824,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.8
+86:        Time:        0.001        0.001       96.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1627.634        0.015
+86: Performance:     2085.509        0.012
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -98728,9 +98888,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.0
+86:        Time:        0.001        0.001       96.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1517.014        0.016
+86: Performance:     2481.109        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -98793,9 +98953,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.8
+86:        Time:        0.001        0.001       96.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2151.045        0.011
+86: Performance:     2317.755        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 86: 
@@ -98858,9 +99018,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       98.2
+86:        Time:        0.001        0.001       95.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:      678.629        0.035
+86: Performance:     2337.986        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 86: 
@@ -98923,12 +99083,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.3
+86:        Time:        0.001        0.001       95.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1751.662        0.014
+86: Performance:     2372.196        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (1646 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (783 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -98981,9 +99141,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.7
+86:        Time:        0.001        0.001       96.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1529.063        0.016
+86: Performance:     1815.677        0.013
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -99035,9 +99195,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       98.0
+86:        Time:        0.001        0.001       96.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:      807.735        0.030
+86: Performance:     2084.803        0.012
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -99091,9 +99251,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.5
+86:        Time:        0.001        0.001       96.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1915.012        0.013
+86: Performance:     2354.067        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -99148,9 +99308,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.4
+86:        Time:        0.001        0.001       96.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1895.567        0.013
+86: Performance:     2270.768        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 86: 
@@ -99205,9 +99365,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.9
+86:        Time:        0.001        0.001       95.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:      882.227        0.027
+86: Performance:     2274.121        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 86: 
@@ -99262,12 +99422,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.8
+86:        Time:        0.001        0.001       95.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:      859.338        0.028
+86: Performance:     2260.768        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (1423 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (778 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
@@ -99320,9 +99480,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.5
+86:        Time:        0.001        0.001       96.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1207.013        0.020
+86: Performance:     1649.423        0.015
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -99374,9 +99534,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       98.2
+86:        Time:        0.001        0.001       96.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:      883.746        0.027
+86: Performance:     2031.858        0.012
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -99430,9 +99590,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.1
+86:        Time:        0.001        0.001       96.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2043.315        0.012
+86: Performance:     2400.855        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -99487,9 +99647,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.8
+86:        Time:        0.001        0.001       95.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:      890.774        0.027
+86: Performance:     2132.431        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 86: 
@@ -99544,9 +99704,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.9
+86:        Time:        0.001        0.001       96.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:      894.655        0.027
+86: Performance:     2166.934        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 86: 
@@ -99601,12 +99761,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.0
+86:        Time:        0.001        0.001       96.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1376.054        0.017
+86: Performance:     2229.676        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (1365 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (784 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
@@ -99663,9 +99823,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       98.3
+86:        Time:        0.001        0.001       97.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:      934.698        0.026
+86: Performance:     1397.277        0.017
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -99723,7 +99883,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       97.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:      991.884        0.024
+86: Performance:     1593.120        0.015
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -99789,9 +99949,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       98.1
+86:        Time:        0.001        0.001       97.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1088.829        0.022
+86: Performance:     1848.363        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -99858,9 +100018,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.014        0.014       99.7
+86:        Time:        0.001        0.001       97.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:      102.538        0.234
+86: Performance:     1731.477        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 86: 
@@ -99927,9 +100087,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       98.4
+86:        Time:        0.001        0.001       97.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:      772.973        0.031
+86: Performance:     1727.108        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 86: 
@@ -99996,12 +100156,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       98.4
+86:        Time:        0.001        0.001       97.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:      793.789        0.030
+86: Performance:     1699.474        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (1293 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (788 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
@@ -100058,9 +100218,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.6
+86:        Time:        0.001        0.001       98.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1311.044        0.018
+86: Performance:     1385.960        0.017
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -100116,9 +100276,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.008        0.008       99.5
+86:        Time:        0.001        0.001       97.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:      175.271        0.137
+86: Performance:     1433.029        0.017
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -100176,9 +100336,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.5
+86:        Time:        0.001        0.001       97.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1441.412        0.017
+86: Performance:     1684.143        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -100237,9 +100397,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.8
+86:        Time:        0.001        0.001       97.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1380.989        0.017
+86: Performance:     1635.845        0.015
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 86: 
@@ -100298,9 +100458,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.4
+86:        Time:        0.001        0.001       97.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1590.241        0.015
+86: Performance:     1631.081        0.015
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 86: 
@@ -100359,12 +100519,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       98.3
+86:        Time:        0.001        0.001       97.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:      753.682        0.032
+86: Performance:     1660.985        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (1803 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (789 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
@@ -100417,9 +100577,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.9
+86:        Time:        0.001        0.001       97.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:      729.323        0.033
+86: Performance:     1449.893        0.017
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -100471,9 +100631,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.9
+86:        Time:        0.001        0.001       96.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:      779.033        0.031
+86: Performance:     1576.002        0.015
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -100535,9 +100695,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       98.0
+86:        Time:        0.001        0.001       97.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:      795.531        0.030
+86: Performance:     1746.695        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -100600,9 +100760,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.0
+86:        Time:        0.001        0.001       96.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1769.269        0.014
+86: Performance:     1730.018        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 86: 
@@ -100665,9 +100825,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.9
+86:        Time:        0.001        0.001       96.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:      822.729        0.029
+86: Performance:     1742.742        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 86: 
@@ -100730,12 +100890,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.3
+86:        Time:        0.001        0.001       97.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1112.021        0.022
+86: Performance:     1735.379        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (1216 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (790 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
@@ -100790,7 +100950,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       97.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1016.432        0.024
+86: Performance:     1350.415        0.018
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -100844,7 +101004,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       97.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1045.764        0.023
+86: Performance:     1545.946        0.016
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -100898,9 +101058,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.3
+86:        Time:        0.001        0.001       96.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1215.587        0.020
+86: Performance:     1695.732        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -100955,9 +101115,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.2
+86:        Time:        0.001        0.001       96.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1168.107        0.021
+86: Performance:     1628.494        0.015
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 86: 
@@ -101012,9 +101172,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.7
+86:        Time:        0.001        0.001       96.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:      781.702        0.031
+86: Performance:     1622.490        0.015
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 86: 
@@ -101069,18 +101229,18 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       98.0
+86:        Time:        0.001        0.001       96.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:      785.089        0.031
+86: Performance:     1596.422        0.015
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (1088 ms)
-86: [----------] 13 tests from PropagatorsWithConstraints/PeriodicActionsTest (19779 ms total)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (785 ms)
+86: [----------] 13 tests from PropagatorsWithConstraints/PeriodicActionsTest (10251 ms total)
 86: 
 86: [----------] Global test environment tear-down
-86: [==========] 13 tests from 1 test suite ran. (19786 ms total)
+86: [==========] 13 tests from 1 test suite ran. (10266 ms total)
 86: [  PASSED  ] 13 tests.
-86/92 Test #86: MdrunCoordinationConstraintsTests1Rank ....   Passed   19.81 sec
+86/92 Test #86: MdrunCoordinationConstraintsTests1Rank ....   Passed   10.29 sec
 test 87
       Start 87: MdrunCoordinationConstraintsTests2Ranks
 
@@ -101150,19 +101310,23 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 4.1%.
+87:  DLB got disabled because it was unsuitable to use.
+87:  Average load imbalance: 7.1%.
 87:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.9%.
+87:  Part of the total run time spent waiting due to load imbalance: 3.3%.
 87: 
 87: 
-87: NOTE: 34 % of the run time was spent communicating energies,
+87: NOTE: 11 % of the run time was spent in domain decomposition,
+87:       6 % of the run time was spent in pair search,
+87:       you might want to increase nstlist (this has no effect on accuracy)
+87: 
+87: NOTE: 21 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.005        0.002      195.5
+87:        Time:        0.003        0.001      194.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:      622.157        0.039
+87: Performance:     1074.960        0.022
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -101223,18 +101387,27 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 7.2%.
+87:  Average load imbalance: 14.4%.
 87:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 3.1%.
+87:  Part of the total run time spent waiting due to load imbalance: 6.3%.
+87: 
+87: NOTE: 6.3 % of the available CPU time was lost due to load imbalance
+87:       in the domain decomposition.
+87:       You can consider manually changing the decomposition (option -dd);
+87:       e.g. by using fewer domains along the box dimension in which there is
+87:       considerable inhomogeneity in the simulated system.
 87: 
+87: NOTE: 12 % of the run time was spent in domain decomposition,
+87:       6 % of the run time was spent in pair search,
+87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 34 % of the run time was spent communicating energies,
+87: NOTE: 23 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      195.0
+87:        Time:        0.002        0.001      193.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:      773.604        0.031
+87: Performance:     1195.767        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -101305,11 +101478,11 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 14.9%.
-87:  The balanceable part of the MD step is 39%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 5.8%.
+87:  Average load imbalance: 15.9%.
+87:  The balanceable part of the MD step is 38%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 6.0%.
 87: 
-87: NOTE: 5.8 % of the available CPU time was lost due to load imbalance
+87: NOTE: 6.0 % of the available CPU time was lost due to load imbalance
 87:       in the domain decomposition.
 87:       You can consider manually changing the decomposition (option -dd);
 87:       e.g. by using fewer domains along the box dimension in which there is
@@ -101319,13 +101492,13 @@
 87:       7 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 21 % of the run time was spent communicating energies,
+87: NOTE: 20 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      193.1
+87:        Time:        0.002        0.001      193.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1275.353        0.019
+87: Performance:     1361.457        0.018
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -101397,22 +101570,27 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 10.7%.
+87:  Average load imbalance: 17.2%.
 87:  The balanceable part of the MD step is 37%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 4.0%.
+87:  Part of the total run time spent waiting due to load imbalance: 6.3%.
 87: 
+87: NOTE: 6.3 % of the available CPU time was lost due to load imbalance
+87:       in the domain decomposition.
+87:       You can consider manually changing the decomposition (option -dd);
+87:       e.g. by using fewer domains along the box dimension in which there is
+87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 12 % of the run time was spent in domain decomposition,
+87: NOTE: 13 % of the run time was spent in domain decomposition,
 87:       6 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 23 % of the run time was spent communicating energies,
+87: NOTE: 19 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.1
+87:        Time:        0.002        0.001      192.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1564.794        0.015
+87: Performance:     1340.717        0.018
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 87: 
@@ -101484,27 +101662,27 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 15.6%.
-87:  The balanceable part of the MD step is 37%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 5.8%.
+87:  Average load imbalance: 16.9%.
+87:  The balanceable part of the MD step is 36%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 6.1%.
 87: 
-87: NOTE: 5.8 % of the available CPU time was lost due to load imbalance
+87: NOTE: 6.1 % of the available CPU time was lost due to load imbalance
 87:       in the domain decomposition.
 87:       You can consider manually changing the decomposition (option -dd);
 87:       e.g. by using fewer domains along the box dimension in which there is
 87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 12 % of the run time was spent in domain decomposition,
-87:       6 % of the run time was spent in pair search,
+87: NOTE: 13 % of the run time was spent in domain decomposition,
+87:       7 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 22 % of the run time was spent communicating energies,
+87: NOTE: 20 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.2
+87:        Time:        0.002        0.001      192.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1301.076        0.018
+87: Performance:     1344.227        0.018
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 87: 
@@ -101576,11 +101754,11 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 16.3%.
-87:  The balanceable part of the MD step is 37%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 6.0%.
+87:  Average load imbalance: 17.4%.
+87:  The balanceable part of the MD step is 36%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 6.3%.
 87: 
-87: NOTE: 6.0 % of the available CPU time was lost due to load imbalance
+87: NOTE: 6.3 % of the available CPU time was lost due to load imbalance
 87:       in the domain decomposition.
 87:       You can consider manually changing the decomposition (option -dd);
 87:       e.g. by using fewer domains along the box dimension in which there is
@@ -101594,12 +101772,12 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.5
+87:        Time:        0.002        0.001      192.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1325.286        0.018
+87: Performance:     1371.459        0.017
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (1231 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (896 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -101661,22 +101839,22 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 7.9%.
-87:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 3.8%.
+87:  Average load imbalance: 7.2%.
+87:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 3.5%.
 87: 
 87: 
-87: NOTE: 11 % of the run time was spent in domain decomposition,
+87: NOTE: 10 % of the run time was spent in domain decomposition,
 87:       6 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 17 % of the run time was spent communicating energies,
+87: NOTE: 22 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      193.9
+87:        Time:        0.003        0.001      194.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1045.941        0.023
+87: Performance:     1046.030        0.023
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -101737,15 +101915,10 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 11.7%.
-87:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 5.2%.
+87:  Average load imbalance: 9.9%.
+87:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 4.3%.
 87: 
-87: NOTE: 5.2 % of the available CPU time was lost due to load imbalance
-87:       in the domain decomposition.
-87:       You can consider manually changing the decomposition (option -dd);
-87:       e.g. by using fewer domains along the box dimension in which there is
-87:       considerable inhomogeneity in the simulated system.
 87: 
 87: NOTE: 11 % of the run time was spent in domain decomposition,
 87:       6 % of the run time was spent in pair search,
@@ -101755,9 +101928,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      193.4
+87:        Time:        0.003        0.001      193.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1216.187        0.020
+87: Performance:     1137.060        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -101820,22 +101993,27 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 12.2%.
-87:  The balanceable part of the MD step is 40%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 4.9%.
+87:  Average load imbalance: 13.0%.
+87:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 5.6%.
 87: 
+87: NOTE: 5.6 % of the available CPU time was lost due to load imbalance
+87:       in the domain decomposition.
+87:       You can consider manually changing the decomposition (option -dd);
+87:       e.g. by using fewer domains along the box dimension in which there is
+87:       considerable inhomogeneity in the simulated system.
 87: 
 87: NOTE: 12 % of the run time was spent in domain decomposition,
 87:       6 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 24 % of the run time was spent communicating energies,
+87: NOTE: 22 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      193.7
+87:        Time:        0.003        0.001      190.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1168.771        0.021
+87: Performance:     1052.553        0.023
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -101899,27 +102077,27 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 18.6%.
-87:  The balanceable part of the MD step is 36%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 6.6%.
+87:  Average load imbalance: 13.2%.
+87:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 5.6%.
 87: 
-87: NOTE: 6.6 % of the available CPU time was lost due to load imbalance
+87: NOTE: 5.6 % of the available CPU time was lost due to load imbalance
 87:       in the domain decomposition.
 87:       You can consider manually changing the decomposition (option -dd);
 87:       e.g. by using fewer domains along the box dimension in which there is
 87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 10 % of the run time was spent in domain decomposition,
-87:       5 % of the run time was spent in pair search,
+87: NOTE: 12 % of the run time was spent in domain decomposition,
+87:       6 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
 87: NOTE: 23 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      193.8
+87:        Time:        0.002        0.001      193.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:      953.948        0.025
+87: Performance:     1182.115        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 87: 
@@ -101982,19 +102160,23 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 8.3%.
-87:  The balanceable part of the MD step is 28%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 2.3%.
+87:  DLB was off during the run due to low measured imbalance.
+87:  Average load imbalance: 1.4%.
+87:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 87: 
 87: 
-87: NOTE: 21 % of the run time was spent communicating energies,
+87: NOTE: 11 % of the run time was spent in domain decomposition,
+87:       5 % of the run time was spent in pair search,
+87:       you might want to increase nstlist (this has no effect on accuracy)
+87: 
+87: NOTE: 29 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.4
+87:        Time:        0.002        0.001      190.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1226.843        0.020
+87: Performance:     1774.365        0.014
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 87: 
@@ -102058,8 +102240,8 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 12.3%.
-87:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
+87:  Average load imbalance: 12.4%.
+87:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
 87:  Part of the total run time spent waiting due to load imbalance: 5.3%.
 87: 
 87: NOTE: 5.3 % of the available CPU time was lost due to load imbalance
@@ -102076,12 +102258,12 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.8
+87:        Time:        0.002        0.001      192.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1196.929        0.020
+87: Performance:     1228.433        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (861 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (844 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -102143,9 +102325,9 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 8.2%.
-87:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 3.6%.
+87:  Average load imbalance: 6.7%.
+87:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 3.2%.
 87: 
 87: 
 87: NOTE: 11 % of the run time was spent in domain decomposition,
@@ -102156,9 +102338,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      194.9
+87:        Time:        0.003        0.001      193.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:      940.190        0.026
+87: Performance:     1033.050        0.023
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -102219,23 +102401,22 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 16.1%.
-87:  The balanceable part of the MD step is 33%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 5.4%.
+87:  Average load imbalance: 10.3%.
+87:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 4.4%.
 87: 
-87: NOTE: 5.4 % of the available CPU time was lost due to load imbalance
-87:       in the domain decomposition.
-87:       You can consider manually changing the decomposition (option -dd);
-87:       e.g. by using fewer domains along the box dimension in which there is
-87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 30 % of the run time was spent communicating energies,
+87: NOTE: 12 % of the run time was spent in domain decomposition,
+87:       7 % of the run time was spent in pair search,
+87:       you might want to increase nstlist (this has no effect on accuracy)
+87: 
+87: NOTE: 23 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      195.1
+87:        Time:        0.002        0.001      193.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:      786.693        0.031
+87: Performance:     1159.641        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -102298,22 +102479,27 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 8.6%.
-87:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 3.7%.
+87:  Average load imbalance: 12.3%.
+87:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 5.1%.
 87: 
+87: NOTE: 5.1 % of the available CPU time was lost due to load imbalance
+87:       in the domain decomposition.
+87:       You can consider manually changing the decomposition (option -dd);
+87:       e.g. by using fewer domains along the box dimension in which there is
+87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 11 % of the run time was spent in domain decomposition,
-87:       4 % of the run time was spent in pair search,
+87: NOTE: 12 % of the run time was spent in domain decomposition,
+87:       7 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 27 % of the run time was spent communicating energies,
+87: NOTE: 22 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      189.3
+87:        Time:        0.002        0.001      193.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:      877.765        0.027
+87: Performance:     1212.357        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -102377,22 +102563,27 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 10.5%.
+87:  Average load imbalance: 15.1%.
 87:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 4.3%.
+87:  Part of the total run time spent waiting due to load imbalance: 6.2%.
 87: 
+87: NOTE: 6.2 % of the available CPU time was lost due to load imbalance
+87:       in the domain decomposition.
+87:       You can consider manually changing the decomposition (option -dd);
+87:       e.g. by using fewer domains along the box dimension in which there is
+87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 16 % of the run time was spent in domain decomposition,
-87:       5 % of the run time was spent in pair search,
+87: NOTE: 12 % of the run time was spent in domain decomposition,
+87:       6 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 25 % of the run time was spent communicating energies,
+87: NOTE: 23 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      193.0
+87:        Time:        0.003        0.001      193.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:      939.258        0.026
+87: Performance:     1123.786        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 87: 
@@ -102455,19 +102646,28 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 2.5%.
-87:  The balanceable part of the MD step is 39%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.0%.
+87:  DLB got disabled because it was unsuitable to use.
+87:  Average load imbalance: 11.9%.
+87:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 5.1%.
 87: 
+87: NOTE: 5.1 % of the available CPU time was lost due to load imbalance
+87:       in the domain decomposition.
+87:       You can consider manually changing the decomposition (option -dd);
+87:       e.g. by using fewer domains along the box dimension in which there is
+87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 28 % of the run time was spent communicating energies,
+87: NOTE: 12 % of the run time was spent in domain decomposition,
+87:       6 % of the run time was spent in pair search,
+87:       you might want to increase nstlist (this has no effect on accuracy)
+87: 
+87: NOTE: 23 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.4
+87:        Time:        0.002        0.001      190.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1146.370        0.021
+87: Performance:     1207.723        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 87: 
@@ -102531,25 +102731,25 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 11.6%.
+87:  Average load imbalance: 12.3%.
 87:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 4.7%.
+87:  Part of the total run time spent waiting due to load imbalance: 5.0%.
 87: 
 87: 
 87: NOTE: 12 % of the run time was spent in domain decomposition,
-87:       5 % of the run time was spent in pair search,
+87:       6 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 27 % of the run time was spent communicating energies,
+87: NOTE: 25 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      192.8
+87:        Time:        0.003        0.001      193.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1026.509        0.023
+87: Performance:     1132.670        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (917 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (842 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -102604,13 +102804,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 7 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      185.1
+87:        Time:        0.003        0.001      193.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1022.420        0.023
+87: Performance:     1119.091        0.021
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -102664,13 +102864,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 9 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.6
+87:        Time:        0.002        0.001      193.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1288.019        0.019
+87: Performance:     1325.857        0.018
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -102738,9 +102938,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.8
+87:        Time:        0.002        0.001      193.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1218.833        0.020
+87: Performance:     1252.153        0.019
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -102805,13 +103005,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 5 % of the run time was spent communicating energies,
+87: NOTE: 6 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      189.1
+87:        Time:        0.002        0.001      192.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1191.604        0.020
+87: Performance:     1355.615        0.018
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 87: 
@@ -102876,10 +103076,13 @@
 87: 
 87: Writing final coordinates.
 87: 
+87: NOTE: 6 % of the run time was spent communicating energies,
+87:       you might want to increase some nst* mdp options
+87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      184.8
+87:        Time:        0.002        0.001      192.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1139.479        0.021
+87: Performance:     1336.354        0.018
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 87: 
@@ -102944,13 +103147,16 @@
 87: 
 87: Writing final coordinates.
 87: 
+87: NOTE: 5 % of the run time was spent communicating energies,
+87:       you might want to increase some nst* mdp options
+87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      187.5
+87:        Time:        0.002        0.001      190.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1691.077        0.014
+87: Performance:     1362.963        0.018
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (886 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (847 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -103005,10 +103211,13 @@
 87: 
 87: Writing final coordinates.
 87: 
+87: NOTE: 8 % of the run time was spent communicating energies,
+87:       you might want to increase some nst* mdp options
+87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.005        0.006       86.6
+87:        Time:        0.003        0.001      193.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:      253.851        0.095
+87: Performance:     1083.467        0.022
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -103062,10 +103271,13 @@
 87: 
 87: Writing final coordinates.
 87: 
+87: NOTE: 8 % of the run time was spent communicating energies,
+87:       you might want to increase some nst* mdp options
+87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.005        0.002      195.7
+87:        Time:        0.002        0.001      193.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:      635.440        0.038
+87: Performance:     1181.775        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -103121,13 +103333,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 11 % of the run time was spent communicating energies,
+87: NOTE: 10 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      188.8
+87:        Time:        0.002        0.001      192.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1187.127        0.020
+87: Performance:     1229.905        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -103184,13 +103396,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 7 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.9
+87:        Time:        0.002        0.001      191.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1165.234        0.021
+87: Performance:     1258.677        0.019
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 87: 
@@ -103247,13 +103459,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 10 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.7
+87:        Time:        0.002        0.001      192.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1136.851        0.021
+87: Performance:     1308.398        0.018
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 87: 
@@ -103310,16 +103522,16 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 11 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.2
+87:        Time:        0.002        0.001      190.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1145.411        0.021
+87: Performance:     1209.264        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (871 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (850 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
@@ -103374,13 +103586,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 7 % of the run time was spent communicating energies,
+87: NOTE: 12 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      193.4
+87:        Time:        0.003        0.001      193.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1053.994        0.023
+87: Performance:     1053.904        0.023
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -103438,9 +103650,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      190.2
+87:        Time:        0.002        0.001      192.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1104.742        0.022
+87: Performance:     1290.447        0.019
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -103496,13 +103708,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 11 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      187.3
+87:        Time:        0.002        0.001      191.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1111.018        0.022
+87: Performance:     1267.090        0.019
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -103559,13 +103771,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 9 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      189.0
+87:        Time:        0.002        0.001      191.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1172.665        0.020
+87: Performance:     1263.193        0.019
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 87: 
@@ -103626,9 +103838,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      188.2
+87:        Time:        0.002        0.001      192.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1199.493        0.020
+87: Performance:     1324.716        0.018
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 87: 
@@ -103685,16 +103897,16 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 9 % of the run time was spent communicating energies,
+87: NOTE: 10 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      188.7
+87:        Time:        0.002        0.001      192.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1169.326        0.021
+87: Performance:     1223.797        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (852 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (902 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
@@ -103749,13 +103961,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 7 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      195.0
+87:        Time:        0.003        0.001      194.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1073.368        0.022
+87: Performance:     1009.768        0.024
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -103813,9 +104025,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      194.7
+87:        Time:        0.003        0.001      194.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1098.145        0.022
+87: Performance:     1126.972        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -103879,10 +104091,13 @@
 87: 
 87: Writing final coordinates.
 87: 
+87: NOTE: 5 % of the run time was spent communicating energies,
+87:       you might want to increase some nst* mdp options
+87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      193.1
+87:        Time:        0.002        0.001      194.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1241.805        0.019
+87: Performance:     1143.285        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -103948,9 +104163,9 @@
 87: Writing final coordinates.
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      188.1
+87:        Time:        0.002        0.001      193.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1212.000        0.020
+87: Performance:     1199.726        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 87: 
@@ -104016,9 +104231,9 @@
 87: Writing final coordinates.
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      193.0
+87:        Time:        0.002        0.001      193.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1200.194        0.020
+87: Performance:     1260.608        0.019
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 87: 
@@ -104084,12 +104299,12 @@
 87: Writing final coordinates.
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      194.1
+87:        Time:        0.002        0.001      193.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1276.410        0.019
+87: Performance:     1248.727        0.019
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (837 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (861 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -104148,9 +104363,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      194.6
+87:        Time:        0.003        0.002      194.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1024.461        0.023
+87: Performance:      944.514        0.025
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -104208,9 +104423,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      193.6
+87:        Time:        0.003        0.001      193.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1122.250        0.021
+87: Performance:     1126.869        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -104266,13 +104481,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 7 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      193.9
+87:        Time:        0.003        0.001      193.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1181.662        0.020
+87: Performance:     1125.839        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -104329,13 +104544,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 8 % of the run time was spent communicating energies,
+87: NOTE: 7 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      194.7
+87:        Time:        0.003        0.001      194.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1045.941        0.023
+87: Performance:     1061.714        0.023
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 87: 
@@ -104392,13 +104607,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 9 % of the run time was spent communicating energies,
+87: NOTE: 7 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.8
+87:        Time:        0.003        0.001      193.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1143.285        0.021
+87: Performance:     1125.017        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 87: 
@@ -104459,12 +104674,12 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      194.0
+87:        Time:        0.002        0.001      193.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1156.268        0.021
+87: Performance:     1175.237        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (838 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (855 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
@@ -104523,9 +104738,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      190.2
+87:        Time:        0.003        0.002      195.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:      978.338        0.025
+87: Performance:      955.798        0.025
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -104579,17 +104794,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 11 % of the run time was spent in domain decomposition,
-87:       3 % of the run time was spent in pair search,
-87:       you might want to increase nstlist (this has no effect on accuracy)
-87: 
-87: NOTE: 7 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      194.3
+87:        Time:        0.002        0.001      193.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1060.800        0.023
+87: Performance:     1163.364        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -104645,10 +104856,13 @@
 87: 
 87: Writing final coordinates.
 87: 
+87: NOTE: 8 % of the run time was spent communicating energies,
+87:       you might want to increase some nst* mdp options
+87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      195.0
+87:        Time:        0.003        0.001      191.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:      801.900        0.030
+87: Performance:     1122.557        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -104705,10 +104919,13 @@
 87: 
 87: Writing final coordinates.
 87: 
+87: NOTE: 7 % of the run time was spent communicating energies,
+87:       you might want to increase some nst* mdp options
+87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      195.1
+87:        Time:        0.002        0.001      193.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:      751.155        0.032
+87: Performance:     1150.545        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 87: 
@@ -104769,9 +104986,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      194.2
+87:        Time:        0.003        0.001      174.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1178.723        0.020
+87: Performance:      997.183        0.024
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 87: 
@@ -104828,16 +105045,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 7 % of the run time was spent communicating energies,
-87:       you might want to increase some nst* mdp options
-87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.4
+87:        Time:        0.002        0.001      190.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1155.075        0.021
+87: Performance:     1695.265        0.014
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (893 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (857 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
@@ -104899,18 +105113,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 6.2%.
-87:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 3.3%.
+87:  Average load imbalance: 6.1%.
+87:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 3.2%.
 87: 
 87: 
-87: NOTE: 10 % of the run time was spent communicating energies,
+87: NOTE: 11 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      192.8
+87:        Time:        0.004        0.002      193.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:      717.934        0.033
+87: Performance:      721.677        0.033
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -104971,7 +105185,7 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 8.5%.
+87:  Average load imbalance: 8.8%.
 87:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
 87:  Part of the total run time spent waiting due to load imbalance: 4.5%.
 87: 
@@ -104980,9 +105194,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      192.3
+87:        Time:        0.003        0.002      192.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:      804.675        0.030
+87: Performance:      820.811        0.029
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -105053,23 +105267,23 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 12.0%.
-87:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 5.7%.
+87:  Average load imbalance: 14.9%.
+87:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 6.3%.
 87: 
-87: NOTE: 5.7 % of the available CPU time was lost due to load imbalance
+87: NOTE: 6.3 % of the available CPU time was lost due to load imbalance
 87:       in the domain decomposition.
 87:       You can consider manually changing the decomposition (option -dd);
 87:       e.g. by using fewer domains along the box dimension in which there is
 87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 6 % of the run time was spent communicating energies,
+87: NOTE: 7 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      191.5
+87:        Time:        0.004        0.002      193.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:      876.018        0.027
+87: Performance:      786.141        0.031
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -105141,20 +105355,20 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 12.4%.
-87:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 5.9%.
+87:  Average load imbalance: 13.2%.
+87:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 6.0%.
 87: 
-87: NOTE: 5.9 % of the available CPU time was lost due to load imbalance
+87: NOTE: 6.0 % of the available CPU time was lost due to load imbalance
 87:       in the domain decomposition.
 87:       You can consider manually changing the decomposition (option -dd);
 87:       e.g. by using fewer domains along the box dimension in which there is
 87:       considerable inhomogeneity in the simulated system.
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      191.4
+87:        Time:        0.003        0.002      192.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:      893.487        0.027
+87: Performance:      868.362        0.028
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 87: 
@@ -105227,19 +105441,23 @@
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
 87:  Average load imbalance: 13.5%.
-87:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 6.0%.
+87:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 5.9%.
 87: 
-87: NOTE: 6.0 % of the available CPU time was lost due to load imbalance
+87: NOTE: 5.9 % of the available CPU time was lost due to load imbalance
 87:       in the domain decomposition.
 87:       You can consider manually changing the decomposition (option -dd);
 87:       e.g. by using fewer domains along the box dimension in which there is
 87:       considerable inhomogeneity in the simulated system.
 87: 
+87: NOTE: 10 % of the run time was spent in domain decomposition,
+87:       5 % of the run time was spent in pair search,
+87:       you might want to increase nstlist (this has no effect on accuracy)
+87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      193.0
+87:        Time:        0.003        0.002      191.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:      914.645        0.026
+87: Performance:      881.029        0.027
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 87: 
@@ -105311,23 +105529,23 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 13.7%.
-87:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 6.1%.
+87:  Average load imbalance: 13.6%.
+87:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 6.0%.
 87: 
-87: NOTE: 6.1 % of the available CPU time was lost due to load imbalance
+87: NOTE: 6.0 % of the available CPU time was lost due to load imbalance
 87:       in the domain decomposition.
 87:       You can consider manually changing the decomposition (option -dd);
 87:       e.g. by using fewer domains along the box dimension in which there is
 87:       considerable inhomogeneity in the simulated system.
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      192.1
+87:        Time:        0.003        0.002      191.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:      869.710        0.028
+87: Performance:      890.967        0.027
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (845 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (854 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
@@ -105388,19 +105606,19 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 6.4%.
-87:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 3.3%.
+87:  DLB was off during the run due to low measured imbalance.
+87:  Average load imbalance: 1.8%.
+87:  The balanceable part of the MD step is 57%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 1.0%.
 87: 
 87: 
-87: NOTE: 9 % of the run time was spent communicating energies,
+87: NOTE: 6 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      193.6
+87:        Time:        0.003        0.002      191.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:      732.097        0.033
+87: Performance:      898.635        0.027
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -105460,19 +105678,19 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 8.5%.
-87:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 4.5%.
+87:  DLB was off during the run due to low measured imbalance.
+87:  Average load imbalance: 1.6%.
+87:  The balanceable part of the MD step is 56%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 87: 
 87: 
-87: NOTE: 10 % of the run time was spent communicating energies,
+87: NOTE: 6 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      192.3
+87:        Time:        0.003        0.001      190.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:      793.891        0.030
+87: Performance:     1066.954        0.022
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -105535,18 +105753,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 8.6%.
-87:  The balanceable part of the MD step is 54%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 4.6%.
+87:  Average load imbalance: 9.8%.
+87:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 4.8%.
 87: 
 87: 
-87: NOTE: 12 % of the run time was spent communicating energies,
+87: NOTE: 9 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      192.0
+87:        Time:        0.004        0.002      190.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:      797.230        0.030
+87: Performance:      738.415        0.033
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -105610,18 +105828,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 9.4%.
-87:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 4.8%.
+87:  Average load imbalance: 9.7%.
+87:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 4.6%.
 87: 
 87: 
 87: NOTE: 9 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      191.6
+87:        Time:        0.004        0.002      192.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:      793.789        0.030
+87: Performance:      793.022        0.030
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 87: 
@@ -105685,23 +105903,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 10.7%.
-87:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 5.5%.
+87:  Average load imbalance: 9.6%.
+87:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 4.5%.
 87: 
-87: NOTE: 5.5 % of the available CPU time was lost due to load imbalance
-87:       in the domain decomposition.
-87:       You can consider manually changing the decomposition (option -dd);
-87:       e.g. by using fewer domains along the box dimension in which there is
-87:       considerable inhomogeneity in the simulated system.
 87: 
 87: NOTE: 9 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      191.2
+87:        Time:        0.004        0.002      192.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:      779.230        0.031
+87: Performance:      738.415        0.033
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 87: 
@@ -105765,26 +105978,21 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 10.0%.
-87:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 5.1%.
+87:  Average load imbalance: 9.1%.
+87:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 4.6%.
 87: 
-87: NOTE: 5.1 % of the available CPU time was lost due to load imbalance
-87:       in the domain decomposition.
-87:       You can consider manually changing the decomposition (option -dd);
-87:       e.g. by using fewer domains along the box dimension in which there is
-87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 10 % of the run time was spent communicating energies,
+87: NOTE: 7 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      193.0
+87:        Time:        0.003        0.001      191.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:      802.265        0.030
+87: Performance:      992.524        0.024
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (837 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (851 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
@@ -105843,9 +106051,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      192.3
+87:        Time:        0.004        0.002      191.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:      729.669        0.033
+87: Performance:      741.035        0.032
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -105899,13 +106107,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 9 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      191.4
+87:        Time:        0.004        0.002      192.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:      827.258        0.029
+87: Performance:      760.520        0.032
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -105969,13 +106177,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 7 % of the run time was spent communicating energies,
+87: NOTE: 6 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      191.0
+87:        Time:        0.003        0.002      191.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:      862.104        0.028
+87: Performance:      843.051        0.028
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -106044,9 +106252,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      191.2
+87:        Time:        0.003        0.002      191.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:      755.577        0.032
+87: Performance:      869.404        0.028
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 87: 
@@ -106111,13 +106319,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 5 % of the run time was spent communicating energies,
+87: NOTE: 6 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      188.4
+87:        Time:        0.003        0.002      191.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:      836.810        0.029
+87: Performance:      843.570        0.028
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 87: 
@@ -106186,12 +106394,12 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      190.2
+87:        Time:        0.003        0.002      191.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:      653.297        0.037
+87: Performance:      885.652        0.027
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (884 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (916 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
@@ -106250,9 +106458,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.005        0.003      191.3
+87:        Time:        0.004        0.002      183.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:      585.107        0.041
+87: Performance:      604.840        0.040
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -106310,9 +106518,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      190.3
+87:        Time:        0.004        0.002      191.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:      685.539        0.035
+87: Performance:      781.157        0.031
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -106368,13 +106576,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 8 % of the run time was spent communicating energies,
+87: NOTE: 5 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      188.0
+87:        Time:        0.002        0.001      187.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:      788.606        0.030
+87: Performance:     1242.180        0.019
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -106431,13 +106639,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 7 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      193.4
+87:        Time:        0.003        0.002      191.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:      678.517        0.035
+87: Performance:      839.432        0.029
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 87: 
@@ -106494,13 +106702,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 9 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.005        0.003      182.5
+87:        Time:        0.004        0.002      191.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:      574.388        0.042
+87: Performance:      792.054        0.030
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 87: 
@@ -106557,22 +106765,22 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 10 % of the run time was spent communicating energies,
+87: NOTE: 7 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.014        0.007      191.9
+87:        Time:        0.004        0.002      191.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:      196.576        0.122
+87: Performance:      773.118        0.031
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (1216 ms)
-87: [----------] 13 tests from PropagatorsWithConstraints/PeriodicActionsTest (11976 ms total)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (850 ms)
+87: [----------] 13 tests from PropagatorsWithConstraints/PeriodicActionsTest (11231 ms total)
 87: 
 87: [----------] Global test environment tear-down
-87: [==========] 13 tests from 1 test suite ran. (11983 ms total)
+87: [==========] 13 tests from 1 test suite ran. (11246 ms total)
 87: [  PASSED  ] 13 tests.
-87/92 Test #87: MdrunCoordinationConstraintsTests2Ranks ...   Passed   12.00 sec
+87/92 Test #87: MdrunCoordinationConstraintsTests2Ranks ...   Passed   11.27 sec
 test 88
       Start 88: MdrunFEPTests
 
@@ -106639,9 +106847,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.015        0.008      198.4
+88:        Time:        0.013        0.007      198.5
 88:                  (ns/day)    (hour/ns)
-88: Performance:      190.612        0.126
+88: Performance:      222.172        0.108
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsembleTest_ContinuationPreservesExpandedEnsembleState.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Overriding nsteps with value passed on the command line: 8 steps, 0.008 ps
 88: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
@@ -106661,10 +106869,10 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.008        0.004      194.3
+88:        Time:        0.006        0.003      194.1
 88:                  (ns/day)    (hour/ns)
-88: Performance:      199.969        0.120
-88: [       OK ] ExpandedEnsembleTest.ContinuationPreservesExpandedEnsembleState (66 ms)
+88: Performance:      235.913        0.102
+88: [       OK ] ExpandedEnsembleTest.ContinuationPreservesExpandedEnsembleState (56 ms)
 88: [ RUN      ] ExpandedEnsembleTest.WeightEquilibrationReported
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsembleTest_WeightEquilibrationReported_input.mdp]:
@@ -106722,11 +106930,11 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.003        0.002      195.8
+88:        Time:        0.003        0.002      195.7
 88:                  (ns/day)    (hour/ns)
-88: Performance:      112.595        0.213
-88: [       OK ] ExpandedEnsembleTest.WeightEquilibrationReported (21 ms)
-88: [----------] 2 tests from ExpandedEnsembleTest (87 ms total)
+88: Performance:      109.565        0.219
+88: [       OK ] ExpandedEnsembleTest.WeightEquilibrationReported (18 ms)
+88: [----------] 2 tests from ExpandedEnsembleTest (75 ms total)
 88: 
 88: [----------] 12 tests from EquivalentToReference/FreeEnergyReferenceTest
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwsequential_coul_s
@@ -106773,7 +106981,7 @@
 88:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 88: starting mdrun 'AA'
 88: 20 steps,      0.0 ps.
-88: Setting the LD random seed to -455485717
+88: Setting the LD random seed to -1879115778
 88: 
 88: Generated 153 of the 153 non-bonded parameter combinations
 88: 
@@ -106814,12 +107022,12 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.123        0.061      199.8
+88:        Time:        0.087        0.044      199.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:       29.576        0.811
+88: Performance:       41.452        0.579
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_coul_s_energy.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         trr version: GMX_trn_file (single precision)
-88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwsequential_coul_s (9812 ms)
+88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwsequential_coul_s (9807 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwsequential_vdw_s
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/coulandvdwsequential_vdw/grompp.mdp, line 148]:
@@ -106864,7 +107072,7 @@
 88:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 88: starting mdrun 'AA'
 88: 20 steps,      0.0 ps.
-88: Setting the LD random seed to -277480147
+88: Setting the LD random seed to -885007621
 88: 
 88: Generated 153 of the 153 non-bonded parameter combinations
 88: 
@@ -106907,9 +107115,9 @@
 88:                Core t (s)   Wall t (s)        (%)
 88:        Time:        0.090        0.045      199.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:       40.220        0.597
+88: Performance:       40.130        0.598
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_vdw_s_energy.edr as single precision energy file
-88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwsequential_vdw_s (121 ms)
+88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwsequential_vdw_s (119 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_s
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/coulandvdwtogether/grompp.mdp, line 147]:
@@ -106962,7 +107170,7 @@
 88:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 88: starting mdrun 'AA'
 88: 20 steps,      0.0 ps.
-88: Setting the LD random seed to -35148299
+88: Setting the LD random seed to -4391043
 88: 
 88: Generated 153 of the 153 non-bonded parameter combinations
 88: 
@@ -107003,11 +107211,11 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.081        0.040      199.8
+88:        Time:        0.068        0.034      199.7
 88:                  (ns/day)    (hour/ns)
-88: Performance:       44.912        0.534
+88: Performance:       53.540        0.448
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwtogether_s_energy.edr as single precision energy file
-88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_s (116 ms)
+88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_s (107 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_net_charge_s
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/coulandvdwtogether-net-charge/grompp.mdp, line 147]:
@@ -107046,7 +107254,7 @@
 88:   neutralize your system with counter ions, possibly in combination with a
 88:   physiological salt concentration.
 88: 
-88: Setting the LD random seed to -952107021
+88: Setting the LD random seed to -383782971
 88: 
 88: Generated 171 of the 171 non-bonded parameter combinations
 88: 
@@ -107132,11 +107340,11 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.082        0.041      199.8
+88:        Time:        0.063        0.032      199.7
 88:                  (ns/day)    (hour/ns)
-88: Performance:       44.312        0.542
+88: Performance:       57.448        0.418
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwtogether_net_charge_s_energy.edr as single precision energy file
-88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_net_charge_s (13194 ms)
+88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_net_charge_s (12177 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_decouple_counter_charge_s
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/coulandvdwtogether-decouple-counter-charge/grompp.mdp, line 147]:
@@ -107175,7 +107383,7 @@
 88:   neutralize your system with counter ions, possibly in combination with a
 88:   physiological salt concentration.
 88: 
-88: Setting the LD random seed to -537395718
+88: Setting the LD random seed to 2146430454
 88: 
 88: Generated 190 of the 190 non-bonded parameter combinations
 88: 
@@ -107265,11 +107473,11 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.079        0.040      199.8
+88:        Time:        0.068        0.034      199.7
 88:                  (ns/day)    (hour/ns)
-88: Performance:       45.744        0.525
+88: Performance:       53.358        0.450
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwtogether_decouple_counter_charge_s_energy.edr as single precision energy file
-88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_decouple_counter_charge_s (56 ms)
+88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_decouple_counter_charge_s (48 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/expanded_s
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/expanded/grompp.mdp, line 171]:
@@ -107319,7 +107527,7 @@
 88:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 88: starting mdrun 'AA'
 88: 100 steps,      0.1 ps.
-88: Setting the LD random seed to -33690305
+88: Setting the LD random seed to -438305797
 88: 
 88: Generated 153 of the 153 non-bonded parameter combinations
 88: 
@@ -107360,11 +107568,11 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.319        0.160      199.9
+88:        Time:        0.236        0.118      199.9
 88:                  (ns/day)    (hour/ns)
-88: Performance:       54.631        0.439
+88: Performance:       73.930        0.325
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_expanded_s_energy.edr as single precision energy file
-88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Reading energy frame     30 time    0.030         
Reading energy frame     40 time    0.040         
Reading energy frame     50 time    0.050         
Reading energy frame     60 time    0.060         
Reading energy frame     70 time    0.070         
Reading energy frame     80 time    0.080         
Reading energy frame     90 time    0.090         
Reading energy frame    100 time    0.100         
Last energy frame read 100 time    0.100         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/expanded_s (246 ms)
+88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Reading energy frame     30 time    0.030         
Reading energy frame     40 time    0.040         
Reading energy frame     50 time    0.050         
Reading energy frame     60 time    0.060         
Reading energy frame     70 time    0.070         
Reading energy frame     80 time    0.080         
Reading energy frame     90 time    0.090         
Reading energy frame    100 time    0.100         
Last energy frame read 100 time    0.100         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/expanded_s (194 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/relative_s
 88: 
 88: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/relative/grompp.mdp]:
@@ -107464,7 +107672,7 @@
 88:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 88: starting mdrun 'AA'
 88: 20 steps,      0.0 ps.
-88: Setting the LD random seed to -404023555
+88: Setting the LD random seed to -275054593
 88: 
 88: Generated 136 of the 136 non-bonded parameter combinations
 88: 
@@ -107503,11 +107711,11 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        1.075        0.538      200.0
+88:        Time:        0.117        0.059      199.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:        3.375        7.111
+88: Performance:       30.990        0.774
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_s_energy.edr as single precision energy file
-88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/relative_s (713 ms)
+88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/relative_s (133 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/relative_position_restraints_s
 88: 
 88: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/relative-position-restraints/grompp.mdp]:
@@ -107613,7 +107821,7 @@
 88:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 88: starting mdrun 'AA'
 88: 20 steps,      0.0 ps.
-88: Setting the LD random seed to 2128609023
+88: Setting the LD random seed to -9511969
 88: 
 88: Generated 136 of the 136 non-bonded parameter combinations
 88: 
@@ -107652,11 +107860,11 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.227        0.114      199.9
+88:        Time:        0.122        0.061      199.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:       15.954        1.504
+88: Performance:       29.714        0.808
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_position_restraints_s_energy.edr as single precision energy file
-88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/relative_position_restraints_s (275 ms)
+88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/relative_position_restraints_s (135 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/restraints_s
 88: 
 88: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/restraints/grompp.mdp]:
@@ -107696,7 +107904,7 @@
 88:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 88: starting mdrun 'AA'
 88: 20 steps,      0.0 ps.
-88: Setting the LD random seed to 2007461885
+88: Setting the LD random seed to -1942390953
 88: 
 88: Generated 136 of the 136 non-bonded parameter combinations
 88: 
@@ -107735,11 +107943,11 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.461        0.230      199.9
+88:        Time:        0.037        0.019      199.4
 88:                  (ns/day)    (hour/ns)
-88: Performance:        7.872        3.049
+88: Performance:       97.067        0.247
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_restraints_s_energy.edr as single precision energy file
-88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/restraints_s (384 ms)
+88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/restraints_s (89 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/simtemp_s
 88: 
 88: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/simtemp/grompp.mdp]:
@@ -107777,11 +107985,11 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.436        0.218      199.9
+88:        Time:        0.037        0.018      199.4
 88:                  (ns/day)    (hour/ns)
-88: Performance:        8.319        2.885
+88: Performance:       99.027        0.242
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_simtemp_s_energy.edr as single precision energy file
-88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         Setting the LD random seed to 1902114554
+88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         Setting the LD random seed to -86196258
 88: 
 88: Generated 136 of the 136 non-bonded parameter combinations
 88: 
@@ -107816,7 +108024,7 @@
 88: Estimate for the relative computational load of the PME mesh part: 0.90
 88: 
 88: This run will generate roughly 0 Mb of data
-88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/simtemp_s (310 ms)
+88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/simtemp_s (91 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/transformAtoB_s
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/transformAtoB/grompp.mdp]:
@@ -107864,7 +108072,7 @@
 88:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 88: starting mdrun 'AA'
 88: 20 steps,      0.0 ps.
-88: Setting the LD random seed to -247619713
+88: Setting the LD random seed to -3146947
 88: 
 88: Generated 136 of the 136 non-bonded parameter combinations
 88: 
@@ -107903,11 +108111,11 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.111        0.055      199.8
+88:        Time:        0.077        0.039      199.7
 88:                  (ns/day)    (hour/ns)
-88: Performance:       32.735        0.733
+88: Performance:       47.102        0.510
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_transformAtoB_s_energy.edr as single precision energy file
-88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/transformAtoB_s (175 ms)
+88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/transformAtoB_s (112 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/vdwalone_s
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/vdwalone/grompp.mdp]:
@@ -107955,7 +108163,7 @@
 88:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 88: starting mdrun 'AA'
 88: 20 steps,      0.0 ps.
-88: Setting the LD random seed to 2080235007
+88: Setting the LD random seed to -100884657
 88: 
 88: Generated 136 of the 136 non-bonded parameter combinations
 88: 
@@ -107994,17 +108202,17 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.574        0.287      200.0
+88:        Time:        0.053        0.027      199.4
 88:                  (ns/day)    (hour/ns)
-88: Performance:        6.326        3.794
+88: Performance:       67.696        0.355
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_vdwalone_s_energy.edr as single precision energy file
-88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/vdwalone_s (387 ms)
-88: [----------] 12 tests from EquivalentToReference/FreeEnergyReferenceTest (25796 ms total)
+88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/vdwalone_s (100 ms)
+88: [----------] 12 tests from EquivalentToReference/FreeEnergyReferenceTest (23118 ms total)
 88: 
 88: [----------] Global test environment tear-down
-88: [==========] 14 tests from 2 test suites ran. (25907 ms total)
+88: [==========] 14 tests from 2 test suites ran. (23217 ms total)
 88: [  PASSED  ] 14 tests.
-88/92 Test #88: MdrunFEPTests .............................   Passed   25.93 sec
+88/92 Test #88: MdrunFEPTests .............................   Passed   23.24 sec
 test 89
       Start 89: MdrunPullTests
 
@@ -108062,12 +108270,15 @@
 89: 
 89: Writing final coordinates.
 89: 
+89: NOTE: 15 % of the run time was spent in pair search,
+89:       you might want to increase nstlist (this has no effect on accuracy)
+89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.049        0.025      199.6
+89:        Time:        0.044        0.022      199.1
 89:                  (ns/day)    (hour/ns)
-89: Performance:       73.725        0.326
+89: Performance:       81.750        0.294
 89: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PullTest_PullIntegrationTest_WithinTolerances_0.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/0 (319 ms)
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/0 (206 ms)
 89: [ RUN      ] PullTest/PullIntegrationTest.WithinTolerances/1
 89: Generating 1-4 interactions: fudge = 0.5
 89: Pull group 1 'r_1' has 3 atoms
@@ -108116,12 +108327,15 @@
 89: 
 89: Writing final coordinates.
 89: 
+89: NOTE: 17 % of the run time was spent in pair search,
+89:       you might want to increase nstlist (this has no effect on accuracy)
+89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.227        0.114      199.9
+89:        Time:        0.039        0.020      199.4
 89:                  (ns/day)    (hour/ns)
-89: Performance:       15.985        1.501
+89: Performance:       92.939        0.258
 89: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PullTest_PullIntegrationTest_WithinTolerances_1.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/1 (312 ms)
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/1 (198 ms)
 89: [ RUN      ] PullTest/PullIntegrationTest.WithinTolerances/2
 89: Generating 1-4 interactions: fudge = 0.5
 89: Pull group 1 'r_1' has 3 atoms
@@ -108173,15 +108387,15 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 10 % of the run time was spent in pair search,
+89: NOTE: 17 % of the run time was spent in pair search,
 89:       you might want to increase nstlist (this has no effect on accuracy)
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.184        0.092      199.9
+89:        Time:        0.030        0.015      199.4
 89:                  (ns/day)    (hour/ns)
-89: Performance:       19.685        1.219
+89: Performance:      119.048        0.202
 89: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PullTest_PullIntegrationTest_WithinTolerances_2.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/2 (255 ms)
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/2 (166 ms)
 89: [ RUN      ] PullTest/PullIntegrationTest.WithinTolerances/3
 89: Generating 1-4 interactions: fudge = 0.5
 89: Pull group 1 'r_1' has 3 atoms
@@ -108232,18 +108446,21 @@
 89: 
 89: Writing final coordinates.
 89: 
+89: NOTE: 18 % of the run time was spent in pair search,
+89:       you might want to increase nstlist (this has no effect on accuracy)
+89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.146        0.073      199.8
+89:        Time:        0.036        0.018      199.4
 89:                  (ns/day)    (hour/ns)
-89: Performance:       24.904        0.964
+89: Performance:      100.564        0.239
 89: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/PullTest_PullIntegrationTest_WithinTolerances_3.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/3 (279 ms)
-89: [----------] 4 tests from PullTest/PullIntegrationTest (1167 ms total)
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/3 (155 ms)
+89: [----------] 4 tests from PullTest/PullIntegrationTest (727 ms total)
 89: 
 89: [----------] Global test environment tear-down
-89: [==========] 4 tests from 1 test suite ran. (1183 ms total)
+89: [==========] 4 tests from 1 test suite ran. (737 ms total)
 89: [  PASSED  ] 4 tests.
-89/92 Test #89: MdrunPullTests ............................   Passed    1.21 sec
+89/92 Test #89: MdrunPullTests ............................   Passed    0.77 sec
 test 90
       Start 90: MdrunRotationTests
 
@@ -108286,7 +108503,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to 745372953
+90: Setting the LD random seed to 1072135915
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -108305,13 +108522,13 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.004        0.002      195.8
+90:        Time:        0.006        0.003      196.0
 90:                  (ns/day)    (hour/ns)
-90: Performance:     2433.704        0.010
+90: Performance:     1484.027        0.016
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_0.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_0.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/0 (25 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/0 (14 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/1
 90: Enforced rotation: Group 0 (iso-pf) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -108344,7 +108561,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to -1515200532
+90: Setting the LD random seed to 1583279103
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -108363,13 +108580,13 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.011        0.006      198.4
+90:        Time:        0.003        0.001      192.8
 90:                  (ns/day)    (hour/ns)
-90: Performance:      794.174        0.030
+90: Performance:     3240.057        0.007
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_1.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_1.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/1 (13 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/1 (9 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/2
 90: Enforced rotation: Group 0 (pm) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -108402,7 +108619,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to -553927171
+90: Setting the LD random seed to 2145367551
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -108421,13 +108638,13 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.015        0.007      198.8
+90:        Time:        0.002        0.001      193.4
 90:                  (ns/day)    (hour/ns)
-90: Performance:      604.328        0.040
+90: Performance:     3487.078        0.007
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_2.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_2.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/2 (21 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/2 (8 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/3
 90: Enforced rotation: Group 0 (pm-pf) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -108460,7 +108677,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to -9502849
+90: Setting the LD random seed to -314
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -108479,13 +108696,13 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.004        0.002      195.7
+90:        Time:        0.002        0.001      192.4
 90:                  (ns/day)    (hour/ns)
-90: Performance:     2391.392        0.010
+90: Performance:     4206.288        0.006
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_3.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_3.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/3 (16 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/3 (7 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/4
 90: Enforced rotation: Group 0 (rm) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -108518,7 +108735,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to -1661207429
+90: Setting the LD random seed to 1989148655
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -108537,13 +108754,13 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.011        0.006      198.1
+90:        Time:        0.002        0.001      193.1
 90:                  (ns/day)    (hour/ns)
-90: Performance:      777.271        0.031
+90: Performance:     4194.117        0.006
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_4.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_4.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/4 (17 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/4 (7 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/5
 90: Enforced rotation: Group 0 (rm-pf) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -108576,7 +108793,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to 2111307243
+90: Setting the LD random seed to -1610616897
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -108595,13 +108812,13 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.004        0.002      196.0
+90:        Time:        0.002        0.001      192.7
 90:                  (ns/day)    (hour/ns)
-90: Performance:     2184.578        0.011
+90: Performance:     4496.342        0.005
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_5.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_5.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/5 (14 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/5 (7 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/6
 90: Enforced rotation: Group 0 (rm2) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -108634,7 +108851,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to -1159073875
+90: Setting the LD random seed to 1592751599
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -108653,13 +108870,13 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.004        0.002      196.0
+90:        Time:        0.002        0.001      193.2
 90:                  (ns/day)    (hour/ns)
-90: Performance:     2352.580        0.010
+90: Performance:     4318.096        0.006
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_6.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_6.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/6 (13 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/6 (6 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/7
 90: Enforced rotation: Group 0 (rm2-pf) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -108692,7 +108909,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to 2075981983
+90: Setting the LD random seed to 2113789883
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -108711,13 +108928,13 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.004        0.002      196.0
+90:        Time:        0.002        0.001      193.1
 90:                  (ns/day)    (hour/ns)
-90: Performance:     2216.440        0.011
+90: Performance:     4990.511        0.005
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_7.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_7.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/7 (18 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/7 (6 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/8
 90: Enforced rotation: Group 0 (flex) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -108750,7 +108967,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to -1097945
+90: Setting the LD random seed to 872298366
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -108769,13 +108986,13 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.010        0.005      198.2
+90:        Time:        0.004        0.002      196.4
 90:                  (ns/day)    (hour/ns)
-90: Performance:      901.462        0.027
+90: Performance:     2497.239        0.010
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_8.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_8.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/8 (16 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/8 (6 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/9
 90: Enforced rotation: Group 0 (flex-t) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -108808,7 +109025,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to -69215496
+90: Setting the LD random seed to -1178632517
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -108827,13 +109044,13 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.007        0.004      197.6
+90:        Time:        0.004        0.002      196.6
 90:                  (ns/day)    (hour/ns)
-90: Performance:     1213.795        0.020
+90: Performance:     2466.514        0.010
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_9.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_9.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/9 (15 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/9 (6 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/10
 90: Enforced rotation: Group 0 (flex2) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -108866,7 +109083,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to 1861211111
+90: Setting the LD random seed to -470438914
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -108885,13 +109102,13 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.007        0.004      197.7
+90:        Time:        0.003        0.002      196.5
 90:                  (ns/day)    (hour/ns)
-90: Performance:     1213.482        0.020
+90: Performance:     2586.353        0.009
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_10.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_10.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/10 (15 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/10 (6 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/11
 90: Enforced rotation: Group 0 (flex2-t) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -108924,7 +109141,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to -1090683937
+90: Setting the LD random seed to -1277313595
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -108943,19 +109160,19 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.008        0.004      197.6
+90:        Time:        0.003        0.002      196.5
 90:                  (ns/day)    (hour/ns)
-90: Performance:     1167.545        0.021
+90: Performance:     2527.722        0.009
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_11.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_11.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/11 (16 ms)
-90: [----------] 12 tests from RotationWorks/RotationTest (213 ms total)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/11 (6 ms)
+90: [----------] 12 tests from RotationWorks/RotationTest (95 ms total)
 90: 
 90: [----------] Global test environment tear-down
-90: [==========] 12 tests from 1 test suite ran. (229 ms total)
+90: [==========] 12 tests from 1 test suite ran. (110 ms total)
 90: [  PASSED  ] 12 tests.
-90/92 Test #90: MdrunRotationTests ........................   Passed    0.25 sec
+90/92 Test #90: MdrunRotationTests ........................   Passed    0.13 sec
 test 91
       Start 91: MdrunSimulatorComparison
 
@@ -108963,12 +109180,12 @@
 91: Working Directory: /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests
 91: Test timeout computed to be: 600
 91: [==========] Running 0 tests from 0 test suites.
-91: [==========] 0 tests from 0 test suites ran. (5 ms total)
+91: [==========] 0 tests from 0 test suites ran. (0 ms total)
 91: [  PASSED  ] 0 tests.
 91: 
 91:   YOU HAVE 82 DISABLED TESTS
 91: 
-91/92 Test #91: MdrunSimulatorComparison ..................   Passed    0.03 sec
+91/92 Test #91: MdrunSimulatorComparison ..................   Passed    0.02 sec
 test 92
       Start 92: MdrunVirtualSiteTests
 
@@ -109038,24 +109255,24 @@
 92: 
 92: Dynamic load balancing report:
 92:  DLB was off during the run due to low measured imbalance.
-92:  Average load imbalance: 1.9%.
-92:  The balanceable part of the MD step is 38%, load imbalance is computed from this.
-92:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+92:  Average load imbalance: 0.6%.
+92:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
+92:  Part of the total run time spent waiting due to load imbalance: 0.2%.
 92: 
 92: 
-92: NOTE: 39 % of the run time was spent communicating energies,
+92: NOTE: 37 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.004        0.002      195.1
+92:        Time:        0.006        0.003      194.5
 92:                  (ns/day)    (hour/ns)
-92: Performance:      405.280        0.059
+92: Performance:      234.084        0.103
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: trr version: GMX_trn_file (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/0 (51 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/0 (14 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/1
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_1_input.mdp]:
@@ -109110,23 +109327,23 @@
 92: 
 92: Dynamic load balancing report:
 92:  DLB was off during the run due to low measured imbalance.
-92:  Average load imbalance: 0.5%.
-92:  The balanceable part of the MD step is 35%, load imbalance is computed from this.
-92:  Part of the total run time spent waiting due to load imbalance: 0.2%.
+92:  Average load imbalance: 0.1%.
+92:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
+92:  Part of the total run time spent waiting due to load imbalance: 0.0%.
 92: 
 92: 
-92: NOTE: 47 % of the run time was spent communicating energies,
+92: NOTE: 29 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.015        0.007      198.6
+92:        Time:        0.003        0.002      189.2
 92:                  (ns/day)    (hour/ns)
-92: Performance:      104.022        0.231
+92: Performance:      442.296        0.054
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/1 (16 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/1 (12 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/2
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_2_input.mdp]:
@@ -109182,23 +109399,23 @@
 92: 
 92: Dynamic load balancing report:
 92:  DLB was off during the run due to low measured imbalance.
-92:  Average load imbalance: 1.7%.
-92:  The balanceable part of the MD step is 33%, load imbalance is computed from this.
-92:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+92:  Average load imbalance: 0.8%.
+92:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
+92:  Part of the total run time spent waiting due to load imbalance: 0.3%.
 92: 
 92: 
-92: NOTE: 34 % of the run time was spent communicating energies,
+92: NOTE: 27 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.003        0.002      193.0
+92:        Time:        0.003        0.002      189.1
 92:                  (ns/day)    (hour/ns)
-92: Performance:      503.627        0.048
+92: Performance:      506.561        0.047
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/2 (99 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/2 (11 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/3
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_3_input.mdp]:
@@ -109260,18 +109477,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 33 % of the run time was spent communicating energies,
+92: NOTE: 32 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      191.5
+92:        Time:        0.003        0.002      191.1
 92:                  (ns/day)    (hour/ns)
-92: Performance:      681.251        0.035
+92: Performance:      491.670        0.049
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/3 (35 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/3 (20 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/4
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_4_input.mdp]:
@@ -109337,14 +109554,14 @@
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      190.0
+92:        Time:        0.003        0.001      187.6
 92:                  (ns/day)    (hour/ns)
-92: Performance:      752.970        0.032
+92: Performance:      545.309        0.044
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/4 (155 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/4 (21 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/5
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_5_input.mdp]:
@@ -109406,18 +109623,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 35 % of the run time was spent communicating energies,
+92: NOTE: 27 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.003        0.001      192.7
+92:        Time:        0.003        0.001      188.5
 92:                  (ns/day)    (hour/ns)
-92: Performance:      581.267        0.041
+92: Performance:      576.643        0.042
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/5 (32 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/5 (20 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/6
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_6_input.mdp]:
@@ -109484,18 +109701,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 30 % of the run time was spent communicating energies,
+92: NOTE: 27 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      190.5
+92:        Time:        0.002        0.001      189.9
 92:                  (ns/day)    (hour/ns)
-92: Performance:      819.882        0.029
+92: Performance:      660.354        0.036
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/6 (39 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/6 (18 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/7
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_7_input.mdp]:
@@ -109562,18 +109779,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 31 % of the run time was spent communicating energies,
+92: NOTE: 25 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      189.1
+92:        Time:        0.002        0.001      189.2
 92:                  (ns/day)    (hour/ns)
-92: Performance:      828.841        0.029
+92: Performance:      735.564        0.033
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/7 (27 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/7 (17 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/8
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_8_input.mdp]:
@@ -109640,19 +109857,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 26 % of the run time was spent in domain decomposition,
-92:       0 % of the run time was spent in pair search,
-92:       you might want to increase nstlist (this has no effect on accuracy)
+92: NOTE: 25 % of the run time was spent communicating energies,
+92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.016        0.008      198.7
+92:        Time:        0.002        0.001      189.2
 92:                  (ns/day)    (hour/ns)
-92: Performance:       95.284        0.252
+92: Performance:      745.313        0.032
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/8 (42 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/8 (15 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/9
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_9_input.mdp]:
@@ -109708,23 +109924,33 @@
 92: 
 92: Dynamic load balancing report:
 92:  DLB was off during the run due to low measured imbalance.
-92:  Average load imbalance: 1.4%.
-92:  The balanceable part of the MD step is 36%, load imbalance is computed from this.
-92:  Part of the total run time spent waiting due to load imbalance: 0.5%.
+92:  Average load imbalance: 14.8%.
+92:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
+92:  Part of the total run time spent waiting due to load imbalance: 6.3%.
+92: 
+92: NOTE: 6.3 % of the available CPU time was lost due to load imbalance
+92:       in the domain decomposition.
+92:       Dynamic load balancing was automatically disabled, but it might be beneficial to manually turn it on (option -dlb yes.)
+92:       You can also consider manually changing the decomposition (option -dd);
+92:       e.g. by using fewer domains along the box dimension in which there is
+92:       considerable inhomogeneity in the simulated system.
 92: 
+92: NOTE: 10 % of the run time was spent in domain decomposition,
+92:       4 % of the run time was spent in pair search,
+92:       you might want to increase nstlist (this has no effect on accuracy)
 92: 
-92: NOTE: 86 % of the run time was spent communicating energies,
+92: NOTE: 22 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.025        0.028       90.5
+92:        Time:        0.002        0.001      192.0
 92:                  (ns/day)    (hour/ns)
-92: Performance:       27.626        0.869
+92: Performance:      641.836        0.037
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/9 (46 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/9 (7 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/10
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_10_input.mdp]:
@@ -109779,23 +110005,23 @@
 92: 
 92: Dynamic load balancing report:
 92:  DLB was off during the run due to low measured imbalance.
-92:  Average load imbalance: 0.5%.
-92:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
-92:  Part of the total run time spent waiting due to load imbalance: 0.2%.
+92:  Average load imbalance: 7.5%.
+92:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
+92:  Part of the total run time spent waiting due to load imbalance: 3.3%.
 92: 
 92: 
-92: NOTE: 55 % of the run time was spent communicating energies,
+92: NOTE: 22 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.012        0.006      198.1
+92:        Time:        0.002        0.001      190.5
 92:                  (ns/day)    (hour/ns)
-92: Performance:      129.007        0.186
+92: Performance:      623.791        0.038
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/10 (17 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/10 (7 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/11
 92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/11 (0 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/12
@@ -109859,18 +110085,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 37 % of the run time was spent communicating energies,
+92: NOTE: 24 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.003        0.002      194.1
+92:        Time:        0.002        0.001      191.3
 92:                  (ns/day)    (hour/ns)
-92: Performance:      489.346        0.049
+92: Performance:      751.755        0.032
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/12 (212 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/12 (15 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/13
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_13_input.mdp]:
@@ -109932,18 +110158,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 37 % of the run time was spent communicating energies,
+92: NOTE: 24 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.003        0.002      193.4
+92:        Time:        0.002        0.001      187.7
 92:                  (ns/day)    (hour/ns)
-92: Performance:      476.896        0.050
+92: Performance:      762.565        0.031
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_13.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_13.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/13 (33 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/13 (15 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/14
 92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/14 (0 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/15
@@ -110007,18 +110233,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 38 % of the run time was spent communicating energies,
+92: NOTE: 22 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.004        0.002      194.6
+92:        Time:        0.002        0.001      192.0
 92:                  (ns/day)    (hour/ns)
-92: Performance:      415.054        0.058
+92: Performance:      711.339        0.034
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_15.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_15.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/15 (115 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/15 (14 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/16
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_16_input.mdp]:
@@ -110080,18 +110306,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 37 % of the run time was spent communicating energies,
+92: NOTE: 21 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.004        0.002      193.9
+92:        Time:        0.002        0.001      178.0
 92:                  (ns/day)    (hour/ns)
-92: Performance:      398.788        0.060
+92: Performance:      611.740        0.039
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_16.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_16.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/16 (55 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/16 (15 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/17
 92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/17 (0 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/18
@@ -110155,18 +110381,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 30 % of the run time was spent communicating energies,
+92: NOTE: 23 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      189.8
+92:        Time:        0.002        0.001      192.0
 92:                  (ns/day)    (hour/ns)
-92: Performance:      944.402        0.025
+92: Performance:      862.600        0.028
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_18.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_18.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/18 (12 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/18 (15 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/19
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_19_input.mdp]:
@@ -110228,18 +110454,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 28 % of the run time was spent communicating energies,
+92: NOTE: 22 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.001        0.001      189.6
+92:        Time:        0.002        0.001      191.8
 92:                  (ns/day)    (hour/ns)
-92: Performance:     1046.692        0.023
+92: Performance:      795.389        0.030
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_19.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_19.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/19 (8 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/19 (14 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/20
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_20_input.mdp]:
@@ -110301,18 +110527,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 30 % of the run time was spent communicating energies,
+92: NOTE: 22 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
 92:        Time:        0.002        0.001      189.7
 92:                  (ns/day)    (hour/ns)
-92: Performance:      972.708        0.025
+92: Performance:      790.473        0.030
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_20.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_20.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/20 (8 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/20 (14 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/21
 92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/21 (0 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/22
@@ -110384,18 +110610,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 29 % of the run time was spent communicating energies,
+92: NOTE: 24 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.001        0.001      190.6
+92:        Time:        0.002        0.001      191.6
 92:                  (ns/day)    (hour/ns)
-92: Performance:      993.448        0.024
+92: Performance:      892.459        0.027
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_27.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_27.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/27 (11 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/27 (21 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/28
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_28_input.mdp]:
@@ -110455,18 +110681,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 30 % of the run time was spent communicating energies,
+92: NOTE: 23 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      190.2
+92:        Time:        0.002        0.001      191.4
 92:                  (ns/day)    (hour/ns)
-92: Performance:      842.110        0.028
+92: Performance:      838.322        0.029
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_28.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_28.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/28 (12 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/28 (22 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/29
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_29_input.mdp]:
@@ -110526,18 +110752,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 30 % of the run time was spent communicating energies,
+92: NOTE: 23 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      186.0
+92:        Time:        0.002        0.001      191.5
 92:                  (ns/day)    (hour/ns)
-92: Performance:      771.950        0.031
+92: Performance:      840.590        0.029
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_29.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_29.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/29 (12 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/29 (22 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/30
 92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/30 (0 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/31
@@ -110550,25 +110776,25 @@
 92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/34 (0 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/35
 92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/35 (0 ms)
-92: [----------] 36 tests from VelocitiesConformToExpectations/VirtualSiteTest (1049 ms total)
+92: [----------] 36 tests from VelocitiesConformToExpectations/VirtualSiteTest (341 ms total)
 92: 
 92: [----------] Global test environment tear-down
-92: [==========] 37 tests from 2 test suites ran. (1064 ms total)
+92: [==========] 37 tests from 2 test suites ran. (354 ms total)
 92: [  PASSED  ] 37 tests.
-92/92 Test #92: MdrunVirtualSiteTests .....................   Passed    1.09 sec
+92/92 Test #92: MdrunVirtualSiteTests .....................   Passed    0.38 sec
 
 100% tests passed, 0 tests failed out of 92
 
 Label Time Summary:
-GTest              = 1026.70 sec*proc (90 tests)
-IntegrationTest    = 947.32 sec*proc (29 tests)
-MpiTest            = 817.71 sec*proc (21 tests)
-QuickGpuTest       = 111.32 sec*proc (23 tests)
-SlowGpuTest        = 899.34 sec*proc (14 tests)
-SlowTest           =  75.40 sec*proc (14 tests)
-UnitTest           =   3.98 sec*proc (47 tests)
+GTest              = 846.25 sec*proc (90 tests)
+IntegrationTest    = 785.79 sec*proc (29 tests)
+MpiTest            = 655.55 sec*proc (21 tests)
+QuickGpuTest       =  81.96 sec*proc (23 tests)
+SlowGpuTest        = 749.07 sec*proc (14 tests)
+SlowTest           =  56.34 sec*proc (14 tests)
+UnitTest           =   4.12 sec*proc (47 tests)
 
-Total Test time (real) = 387.20 sec
+Total Test time (real) = 318.44 sec
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/energyreader.cpp.o -MF CMakeFiles/mdrun_test_infrastructure.dir/energyreader.cpp.o.d -o CMakeFiles/mdrun_test_infrastructure.dir/energyreader.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/energyreader.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/energycomparison.cpp.o -MF CMakeFiles/mdrun_test_infrastructure.dir/energycomparison.cpp.o.d -o CMakeFiles/mdrun_test_infrastructure.dir/energycomparison.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/energycomparison.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/moduletest.cpp.o -MF CMakeFiles/mdrun_test_infrastructure.dir/moduletest.cpp.o.d -o CMakeFiles/mdrun_test_infrastructure.dir/moduletest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/moduletest.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/testutils/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/testutils/tests/CMakeFiles/testutils-test.dir/interactivetest.cpp.o -MF CMakeFiles/testutils-test.dir/interactivetest.cpp.o.d -o CMakeFiles/testutils-test.dir/interactivetest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/tests/interactivetest.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib_test_infrastructure.dir/testsystems.cpp.o -MF CMakeFiles/nblib_test_infrastructure.dir/testsystems.cpp.o.d -o CMakeFiles/nblib_test_infrastructure.dir/testsystems.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/testsystems.cpp
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-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxlib/nonbonded/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxlib/nonbonded/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxlib/nonbonded/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxlib/nonbonded/tests/CMakeFiles/nonbonded-fep-test.dir/nb_free_energy.cpp.o -MF CMakeFiles/nonbonded-fep-test.dir/nb_free_energy.cpp.o.d -o CMakeFiles/nonbonded-fep-test.dir/nb_free_energy.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxlib/nonbonded/tests/nb_free_energy.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/awh_setup.cpp.o -MF CMakeFiles/awh-test.dir/awh_setup.cpp.o.d -o CMakeFiles/awh-test.dir/awh_setup.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/awh_setup.cpp
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-/usr/bin/make  -f src/gromacs/applied_forces/qmmm/tests/CMakeFiles/qmmm_applied_forces-test.dir/build.make src/gromacs/applied_forces/qmmm/tests/CMakeFiles/qmmm_applied_forces-test.dir/build
-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 [ 64%] Built target utility-mpi-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/colvars/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/colvars/tests/CMakeFiles/colvars_applied_forces-test.dir/colvarspreprocessor.cpp.o -MF CMakeFiles/colvars_applied_forces-test.dir/colvarspreprocessor.cpp.o.d -o CMakeFiles/colvars_applied_forces-test.dir/colvarspreprocessor.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/colvars/tests/colvarspreprocessor.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/bias.cpp.o -MF CMakeFiles/awh-test.dir/bias.cpp.o.d -o CMakeFiles/awh-test.dir/bias.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/bias.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 [ 64%] Built target testutils-mpi-test
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/bias.cpp.o -MF CMakeFiles/awh-test.dir/bias.cpp.o.d -o CMakeFiles/awh-test.dir/bias.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/bias.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/arrayref.cpp.o -MF CMakeFiles/utility-test.dir/arrayref.cpp.o.d -o CMakeFiles/utility-test.dir/arrayref.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/arrayref.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/simulatorcomparison.cpp.o -MF CMakeFiles/mdrun_test_infrastructure.dir/simulatorcomparison.cpp.o.d -o CMakeFiles/mdrun_test_infrastructure.dir/simulatorcomparison.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/simulatorcomparison.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/testutils/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/testutils/tests/CMakeFiles/testutils-test.dir/refdata_tests.cpp.o -MF CMakeFiles/testutils-test.dir/refdata_tests.cpp.o.d -o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/tests/refdata_tests.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o -MF CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o.d -o CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/constrtestdata.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/densityfitting/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/densityfitting/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/densityfitting/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/densityfitting/tests/CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingforceprovider.cpp.o -MF CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingforceprovider.cpp.o.d -o CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingforceprovider.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/densityfitting/tests/densityfittingforceprovider.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/terminationhelper.cpp.o -MF CMakeFiles/mdrun_test_infrastructure.dir/terminationhelper.cpp.o.d -o CMakeFiles/mdrun_test_infrastructure.dir/terminationhelper.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/terminationhelper.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o -MF CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o.d -o CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/trajectorycomparison.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/testutils/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/testutils/tests/CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o -MF CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o.d -o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/tests/testasserts_tests.cpp
+/usr/bin/make  -f src/gromacs/applied_forces/qmmm/tests/CMakeFiles/qmmm_applied_forces-test.dir/build.make src/gromacs/applied_forces/qmmm/tests/CMakeFiles/qmmm_applied_forces-test.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/qmmm/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests/CMakeFiles/qmmm_applied_forces-test.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/densityfitting/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/densityfitting/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/densityfitting/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/densityfitting/tests/CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingoptions.cpp.o -MF CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingoptions.cpp.o.d -o CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingoptions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/densityfitting/tests/densityfittingoptions.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib_test_infrastructure.dir/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib_test_infrastructure.dir/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib_test_infrastructure.dir/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/colvars/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/colvars/tests/CMakeFiles/colvars_applied_forces-test.dir/colvarsforceprovider.cpp.o -MF CMakeFiles/colvars_applied_forces-test.dir/colvarsforceprovider.cpp.o.d -o CMakeFiles/colvars_applied_forces-test.dir/colvarsforceprovider.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/colvars/tests/colvarsforceprovider.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/colvars/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/colvars/tests/CMakeFiles/colvars_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/colvars_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/colvars_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/testutils/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/testutils/tests/CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o -MF CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o.d -o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/tests/xvgtest_tests.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/biasgrid.cpp.o -MF CMakeFiles/awh-test.dir/biasgrid.cpp.o.d -o CMakeFiles/awh-test.dir/biasgrid.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/biasgrid.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/cmake -P CMakeFiles/nblib_test_infrastructure.dir/cmake_clean_target.cmake
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 [ 64%] Built target nblib_test_infrastructure
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/colvars/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/CMakeFiles/colvars_applied_forces-test.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 64%] Built target nonbonded-fep-test
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/colvars_applied_forces-test.dir/link.txt --verbose=1
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/qmmm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/qmmm/tests/CMakeFiles/qmmm_applied_forces-test.dir/qmmmoptions.cpp.o -MF CMakeFiles/qmmm_applied_forces-test.dir/qmmmoptions.cpp.o.d -o CMakeFiles/qmmm_applied_forces-test.dir/qmmmoptions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/qmmm/tests/qmmmoptions.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun_test_infrastructure.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun_test_infrastructure.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/biassharing.cpp.o -MF CMakeFiles/awh-test.dir/biassharing.cpp.o.d -o CMakeFiles/awh-test.dir/biassharing.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/biassharing.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/colvars_applied_forces-test.dir/link.d "CMakeFiles/colvars_applied_forces-test.dir/colvars.cpp.o" "CMakeFiles/colvars_applied_forces-test.dir/colvarsoptions.cpp.o" "CMakeFiles/colvars_applied_forces-test.dir/colvarspreprocessor.cpp.o" "CMakeFiles/colvars_applied_forces-test.dir/colvarsforceprovider.cpp.o" "CMakeFiles/colvars_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/colvars_applied_forces-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_d.so.10.0.0 ../../../../../lib/libgmock.so.1.13.0 -lm ../../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 64%] Built target colvars_applied_forces-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/biasstate.cpp.o -MF CMakeFiles/awh-test.dir/biasstate.cpp.o.d -o CMakeFiles/awh-test.dir/biasstate.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/biasstate.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/densityfitting/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/densityfitting/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/densityfitting/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/densityfitting/tests/CMakeFiles/density_fitting_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/density_fitting_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/density_fitting_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/bitmask32.cpp.o -MF CMakeFiles/utility-test.dir/bitmask32.cpp.o.d -o CMakeFiles/utility-test.dir/bitmask32.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/bitmask32.cpp
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 /usr/bin/make  -f src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_applied_forces-test.dir/build.make src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_applied_forces-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/plumed/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_applied_forces-test.dir/DependInfo.cmake "--color="
@@ -110966,24 +111169,24 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/plumed/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_applied_forces-test.dir/plumedOptions.cpp.o -MF CMakeFiles/plumed_applied_forces-test.dir/plumedOptions.cpp.o.d -o CMakeFiles/plumed_applied_forces-test.dir/plumedOptions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/plumed/tests/plumedOptions.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/testutils/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/testutils/tests/CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -MF CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o.d -o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxlib/nonbonded/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nonbonded-fep-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nonbonded-fep-test.dir/link.d "CMakeFiles/nonbonded-fep-test.dir/nb_free_energy.cpp.o" "CMakeFiles/nonbonded-fep-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/nonbonded-fep-test  ../../../../../lib/libtestutils.a ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_d.so.10.0.0 -lm ../../../../../lib/libgmock.so.1.13.0 ../../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 64%] Built target density_fitting_applied_forces-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/plumed/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/plumed_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/plumed_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/qmmm_applied_forces-test.dir/link.txt --verbose=1
+[ 64%] Built target nonbonded-fep-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/densityfitting/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/densityfitting/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/densityfitting/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/densityfitting/tests/CMakeFiles/density_fitting_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/density_fitting_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/density_fitting_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/testutils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/qmmm_applied_forces-test.dir/link.d "CMakeFiles/qmmm_applied_forces-test.dir/qmmminputgenerator.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmmtopologypreprocessor.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmmoptions.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmmforceprovider.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmm.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/qmmm_applied_forces-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_d.so.10.0.0 ../../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 64%] Built target qmmm_applied_forces-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/friction_metric.cpp.o -MF CMakeFiles/awh-test.dir/friction_metric.cpp.o.d -o CMakeFiles/awh-test.dir/friction_metric.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/friction_metric.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -P CMakeFiles/mdrun_test_infrastructure.dir/cmake_clean_target.cmake
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun_test_infrastructure.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/colvars/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/colvars/tests/CMakeFiles/colvars_applied_forces-test.dir/colvarsoptions.cpp.o -MF CMakeFiles/colvars_applied_forces-test.dir/colvarsoptions.cpp.o.d -o CMakeFiles/colvars_applied_forces-test.dir/colvarsoptions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/colvars/tests/colvarsoptions.cpp
 /usr/bin/ar qc ../../../../lib/libmdrun_test_infrastructure.a CMakeFiles/mdrun_test_infrastructure.dir/energyreader.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/energycomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/moduletest.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/simulatorcomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/terminationhelper.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o
 /usr/bin/ranlib ../../../../lib/libmdrun_test_infrastructure.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 [ 64%] Built target mdrun_test_infrastructure
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/awh-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/awh-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/booltype.cpp.o -MF CMakeFiles/utility-test.dir/booltype.cpp.o.d -o CMakeFiles/utility-test.dir/booltype.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/booltype.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/ebin.cpp.o -MF CMakeFiles/mdlib-test.dir/ebin.cpp.o.d -o CMakeFiles/mdlib-test.dir/ebin.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/ebin.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/biasstate.cpp.o -MF CMakeFiles/awh-test.dir/biasstate.cpp.o.d -o CMakeFiles/awh-test.dir/biasstate.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/biasstate.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testutils-test.dir/link.d "CMakeFiles/testutils-test.dir/interactivetest.cpp.o" "CMakeFiles/testutils-test.dir/naming.cpp.o" "CMakeFiles/testutils-test.dir/refdata_tests.cpp.o" "CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o" "CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o" "CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o" -o ../../../bin/testutils-test  ../../../lib/libtestutils.a ../../../lib/libtestutils.a ../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../lib/libgmock.so.1.13.0 ../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 [ 64%] Built target testutils-test
@@ -110994,25 +111197,44 @@
 /usr/bin/make  -f src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/build.make src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/nnpot/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/nnpotoptions.cpp.o -MF CMakeFiles/nnpot_applied_forces-test.dir/nnpotoptions.cpp.o.d -o CMakeFiles/nnpot_applied_forces-test.dir/nnpotoptions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/nnpot/tests/nnpotoptions.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/expanded.cpp.o -MF CMakeFiles/mdlib-test.dir/expanded.cpp.o.d -o CMakeFiles/mdlib-test.dir/expanded.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/expanded.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/plumed_applied_forces-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/bias_fep_lambda_state.cpp.o -MF CMakeFiles/awh-test.dir/bias_fep_lambda_state.cpp.o.d -o CMakeFiles/awh-test.dir/bias_fep_lambda_state.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/bias_fep_lambda_state.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/densityfitting/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/density_fitting_applied_forces-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/density_fitting_applied_forces-test.dir/link.d "CMakeFiles/density_fitting_applied_forces-test.dir/densityfitting.cpp.o" "CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingamplitudelookup.cpp.o" "CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingforceprovider.cpp.o" "CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingoptions.cpp.o" "CMakeFiles/density_fitting_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/density_fitting_applied_forces-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_d.so.10.0.0 ../../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/plumed/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/plumed_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/plumed_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+[ 64%] Built target density_fitting_applied_forces-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/electricfield.cpp.o -MF CMakeFiles/applied_forces-test.dir/electricfield.cpp.o.d -o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/tests/electricfield.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/plumed_applied_forces-test.dir/link.txt --verbose=1
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 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/plumed_applied_forces-test.dir/link.d "CMakeFiles/plumed_applied_forces-test.dir/plumedOptions.cpp.o" "CMakeFiles/plumed_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/plumed_applied_forces-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_d.so.10.0.0 ../../../../../lib/libgmock.so.1.13.0 -lm ../../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 [ 64%] Built target plumed_applied_forces-test
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/nnpot/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/nnpottopologypreprocessor.cpp.o -MF CMakeFiles/nnpot_applied_forces-test.dir/nnpottopologypreprocessor.cpp.o.d -o CMakeFiles/nnpot_applied_forces-test.dir/nnpottopologypreprocessor.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/nnpot/tests/nnpottopologypreprocessor.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/qmmm_applied_forces-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/applied_forces-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/qmmm_applied_forces-test.dir/link.d "CMakeFiles/qmmm_applied_forces-test.dir/qmmminputgenerator.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmmtopologypreprocessor.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmmoptions.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmmforceprovider.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmm.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/qmmm_applied_forces-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_d.so.10.0.0 ../../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 64%] Built target qmmm_applied_forces-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/nnpot/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/nnpotforceprovider.cpp.o -MF CMakeFiles/nnpot_applied_forces-test.dir/nnpotforceprovider.cpp.o.d -o CMakeFiles/nnpot_applied_forces-test.dir/nnpotforceprovider.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/nnpot/tests/nnpotforceprovider.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/applied_forces-test.dir/link.d "CMakeFiles/applied_forces-test.dir/electricfield.cpp.o" "CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/applied_forces-test  ../../../../lib/libtestutils.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 64%] Built target applied_forces-test
 /usr/bin/make  -f src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/build.make src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/listed_forces/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/listed_forces/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/DependInfo.cmake "--color="
@@ -111020,13 +111242,7 @@
 /usr/bin/make  -f src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/build.make src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/bonded.cpp.o -MF CMakeFiles/listed_forces-test.dir/bonded.cpp.o.d -o CMakeFiles/listed_forces-test.dir/bonded.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/listed_forces/tests/bonded.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/langevin.cpp.o -MF CMakeFiles/mdlib-test.dir/langevin.cpp.o.d -o CMakeFiles/mdlib-test.dir/langevin.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/langevin.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/awh-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/nnpot/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/nnpotforceprovider.cpp.o -MF CMakeFiles/nnpot_applied_forces-test.dir/nnpotforceprovider.cpp.o.d -o CMakeFiles/nnpot_applied_forces-test.dir/nnpotforceprovider.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/nnpot/tests/nnpotforceprovider.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/awh-test.dir/link.d "CMakeFiles/awh-test.dir/awh_setup.cpp.o" "CMakeFiles/awh-test.dir/bias.cpp.o" "CMakeFiles/awh-test.dir/biasgrid.cpp.o" "CMakeFiles/awh-test.dir/biassharing.cpp.o" "CMakeFiles/awh-test.dir/biasstate.cpp.o" "CMakeFiles/awh-test.dir/bias_fep_lambda_state.cpp.o" "CMakeFiles/awh-test.dir/friction_metric.cpp.o" "CMakeFiles/awh-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/awh-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_d.so.10.0.0 ../../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 66%] Built target awh-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/nnpot/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/nnpot_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/nnpot_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 /usr/bin/make  -f src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/build.make src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/nbnxm/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/DependInfo.cmake "--color="
@@ -111034,18 +111250,8 @@
 /usr/bin/make  -f src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/build.make src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/applied_forces-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/applied_forces-test.dir/link.d "CMakeFiles/applied_forces-test.dir/electricfield.cpp.o" "CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/applied_forces-test  ../../../../lib/libtestutils.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 66%] Built target applied_forces-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/nbnxm/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/simd_energy_accumulator.cpp.o -MF CMakeFiles/nbnxm-test.dir/simd_energy_accumulator.cpp.o.d -o CMakeFiles/nbnxm-test.dir/simd_energy_accumulator.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/simd_energy_accumulator.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/nbnxm/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-gpu-test.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/nbnxm/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-gpu-test.dir/pairlist.cpp.o -MF CMakeFiles/nbnxm-gpu-test.dir/pairlist.cpp.o.d -o CMakeFiles/nbnxm-gpu-test.dir/pairlist.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/pairlist.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 64%] Built target colvars_applied_forces-test
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/nbnxm/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-gpu-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/nbnxm-gpu-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/nbnxm-gpu-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 66%] Built target nnpot_applied_forces-test
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/langevintestrunners.cpp.o -MF CMakeFiles/mdlib-test.dir/langevintestrunners.cpp.o.d -o CMakeFiles/mdlib-test.dir/langevintestrunners.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/langevintestrunners.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/nbnxm/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nbnxm-gpu-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nbnxm-gpu-test.dir/link.d "CMakeFiles/nbnxm-gpu-test.dir/pairlist.cpp.o" "CMakeFiles/nbnxm-gpu-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/nbnxm-gpu-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+[ 64%] Built target nnpot_applied_forces-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/bitmask64.cpp.o -MF CMakeFiles/utility-test.dir/bitmask64.cpp.o.d -o CMakeFiles/utility-test.dir/bitmask64.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/bitmask64.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/awh/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/awh-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/awh-test.dir/link.d "CMakeFiles/awh-test.dir/awh_setup.cpp.o" "CMakeFiles/awh-test.dir/bias.cpp.o" "CMakeFiles/awh-test.dir/biasgrid.cpp.o" "CMakeFiles/awh-test.dir/biassharing.cpp.o" "CMakeFiles/awh-test.dir/biasstate.cpp.o" "CMakeFiles/awh-test.dir/bias_fep_lambda_state.cpp.o" "CMakeFiles/awh-test.dir/friction_metric.cpp.o" "CMakeFiles/awh-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/awh-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_d.so.10.0.0 ../../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 66%] Built target nbnxm-gpu-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/leapfrog.cpp.o -MF CMakeFiles/mdlib-test.dir/leapfrog.cpp.o.d -o CMakeFiles/mdlib-test.dir/leapfrog.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/leapfrog.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o -MF CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o.d -o CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/leapfrogtestdata.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o -MF CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o.d -o CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/keyvaluetreetransform.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/listoflists.cpp.o -MF CMakeFiles/utility-test.dir/listoflists.cpp.o.d -o CMakeFiles/utility-test.dir/listoflists.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/listoflists.cpp
+[ 66%] Built target awh-test
 /usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/DependInfo.cmake "--color="
@@ -111079,8 +111283,18 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o -MF CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o.d -o CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/onlinehelp/tests/mock_helptopic.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 66%] Built target nbnxm-gpu-test
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/logger.cpp.o -MF CMakeFiles/utility-test.dir/logger.cpp.o.d -o CMakeFiles/utility-test.dir/logger.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/logger.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/listed_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/listed_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 /usr/bin/make  -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/DependInfo.cmake "--color="
@@ -111088,6 +111302,13 @@
 /usr/bin/make  -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/domdec/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/hashedmap.cpp.o -MF CMakeFiles/domdec-test.dir/hashedmap.cpp.o.d -o CMakeFiles/domdec-test.dir/hashedmap.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/domdec/tests/hashedmap.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/nbnxm/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/kernelsetup.cpp.o -MF CMakeFiles/nbnxm-test.dir/kernelsetup.cpp.o.d -o CMakeFiles/nbnxm-test.dir/kernelsetup.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/kernelsetup.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/cmake -P CMakeFiles/onlinehelp-test-shared.dir/cmake_clean_target.cmake
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test-shared.dir/link.txt --verbose=1
+/usr/bin/ar qc ../../../../lib/libonlinehelp-test-shared.a "CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o" "CMakeFiles/onlinehelp-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o"
+/usr/bin/ranlib ../../../../lib/libonlinehelp-test-shared.a
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 66%] Built target onlinehelp-test-shared
 /usr/bin/make  -f src/gromacs/domdec/tests/CMakeFiles/domdec-mpi-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-mpi-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/domdec/tests/CMakeFiles/domdec-mpi-test.dir/DependInfo.cmake "--color="
@@ -111095,24 +111316,10 @@
 /usr/bin/make  -f src/gromacs/domdec/tests/CMakeFiles/domdec-mpi-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-mpi-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/domdec/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/domdec/tests/CMakeFiles/domdec-mpi-test.dir/haloexchange_mpi.cpp.o -MF CMakeFiles/domdec-mpi-test.dir/haloexchange_mpi.cpp.o.d -o CMakeFiles/domdec-mpi-test.dir/haloexchange_mpi.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/domdec/tests/haloexchange_mpi.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/nbnxm/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/nbnxm-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/nbnxm-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/domdec/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o -MF CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o.d -o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/domdec/tests/localatomsetmanager.cpp
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-/build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/testsystem.cpp: In function 'std::pair<double, double> gmx::test::{anonymous}::combineLJParams(real, real, real, real, gmx::LJCombinationRule)':
-/build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/testsystem.cpp:94:80: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
-   94 |                                       const LJCombinationRule ljCombinationRule)
-      |                                                                                ^
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/listed_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/listed_forces-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test-shared.dir/link.txt --verbose=1
-/usr/bin/ar qc ../../../../lib/libonlinehelp-test-shared.a "CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o" "CMakeFiles/onlinehelp-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o"
-/usr/bin/ranlib ../../../../lib/libonlinehelp-test-shared.a
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 66%] Built target onlinehelp-test-shared
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/domdec/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/domdec/tests/CMakeFiles/domdec-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/domdec-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/domdec-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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@@ -111120,18 +111327,24 @@
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_DYNAMIC_REGISTRATION=true -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o -MF CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o.d -o CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/ewald/tests/pmebsplinetest.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/listed_forces-test.dir/link.d "CMakeFiles/listed_forces-test.dir/bonded.cpp.o" "CMakeFiles/listed_forces-test.dir/pairs.cpp.o" "CMakeFiles/listed_forces-test.dir/position_restraints.cpp.o" "CMakeFiles/listed_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/listed_forces-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 66%] Built target listed_forces-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_DYNAMIC_REGISTRATION=true -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/pmegathertest.cpp.o -MF CMakeFiles/ewald-test.dir/pmegathertest.cpp.o.d -o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/ewald/tests/pmegathertest.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o -MF CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o.d -o CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/leapfrogtestdata.cpp
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fft/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fft/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/fft/tests/CMakeFiles/fft-test.dir/fft.cpp.o -MF CMakeFiles/fft-test.dir/fft.cpp.o.d -o CMakeFiles/fft-test.dir/fft.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fft/tests/fft.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/settle.cpp.o -MF CMakeFiles/mdlib-test.dir/settle.cpp.o.d -o CMakeFiles/mdlib-test.dir/settle.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/settle.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/message_string_collector.cpp.o -MF CMakeFiles/utility-test.dir/message_string_collector.cpp.o.d -o CMakeFiles/utility-test.dir/message_string_collector.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/message_string_collector.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/domdec/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/nbnxm/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/testsystem.cpp.o -MF CMakeFiles/nbnxm-test.dir/testsystem.cpp.o.d -o CMakeFiles/nbnxm-test.dir/testsystem.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/testsystem.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/listed_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/listed_forces-test.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 66%] Built target listed_forces-test
 /usr/bin/make  -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/gpu_utils/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gpu_utils/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/DependInfo.cmake "--color="
@@ -111139,45 +111352,42 @@
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/hardware/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/hardware/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 67%] Built target nbnxm-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fft/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fft/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/fft/tests/CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/path.cpp.o -MF CMakeFiles/utility-test.dir/path.cpp.o.d -o CMakeFiles/utility-test.dir/path.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/path.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/domdec/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/domdec-mpi-test.dir/link.txt --verbose=1
+/build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/testsystem.cpp: In function 'std::pair<double, double> gmx::test::{anonymous}::combineLJParams(real, real, real, real, gmx::LJCombinationRule)':
+/build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/testsystem.cpp:94:80: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
+   94 |                                       const LJCombinationRule ljCombinationRule)
+      |                                                                                ^
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/hardware/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/hardware/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/hardware/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o -MF CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o.d -o CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/hardware/tests/hardwaretopology.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/domdec-test.dir/link.d "CMakeFiles/domdec-test.dir/hashedmap.cpp.o" "CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o" "CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/domdec-test  ../../../../lib/libtestutils.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 68%] Built target domdec-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gpu_utils/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/pinnedmemorychecker.cpp.o -MF CMakeFiles/gpu_utils-test.dir/pinnedmemorychecker.cpp.o.d -o CMakeFiles/gpu_utils-test.dir/pinnedmemorychecker.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gpu_utils/tests/pinnedmemorychecker.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o -MF CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o.d -o CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/settletestrunners.cpp
+[ 67%] Built target domdec-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_DYNAMIC_REGISTRATION=true -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o -MF CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o.d -o CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/ewald/tests/pmesolvetest.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/nbnxm/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/nbnxm-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/nbnxm-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/domdec/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/domdec-mpi-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o -MF CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o.d -o CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/fixedcapacityvector.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gpu_utils/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/device_availability.cpp.o -MF CMakeFiles/gpu_utils-test.dir/device_availability.cpp.o.d -o CMakeFiles/gpu_utils-test.dir/device_availability.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gpu_utils/tests/device_availability.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/domdec-mpi-test.dir/link.d "CMakeFiles/domdec-mpi-test.dir/haloexchange_mpi.cpp.o" "CMakeFiles/domdec-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/domdec-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 68%] Built target domdec-mpi-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/shake.cpp.o -MF CMakeFiles/mdlib-test.dir/shake.cpp.o.d -o CMakeFiles/mdlib-test.dir/shake.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/shake.cpp
+[ 67%] Built target domdec-mpi-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_DYNAMIC_REGISTRATION=true -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o -MF CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o.d -o CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/ewald/tests/pmesplinespreadtest.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gpu_utils/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/device_buffer.cpp.o -MF CMakeFiles/gpu_utils-test.dir/device_buffer.cpp.o.d -o CMakeFiles/gpu_utils-test.dir/device_buffer.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gpu_utils/tests/device_buffer.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o -MF CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o.d -o CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/simulationsignal.cpp
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nbnxm-test.dir/link.d "CMakeFiles/nbnxm-test.dir/exclusions.cpp.o" "CMakeFiles/nbnxm-test.dir/kernel_test.cpp.o" "CMakeFiles/nbnxm-test.dir/kernelsetup.cpp.o" "CMakeFiles/nbnxm-test.dir/simd_energy_accumulator.cpp.o" "CMakeFiles/nbnxm-test.dir/testsystem.cpp.o" "CMakeFiles/nbnxm-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/nbnxm-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o -MF CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o.d -o CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/updategroupscog.cpp
+[ 68%] Built target nbnxm-test
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 68%] Built target fft-test
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 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/DependInfo.cmake "--color="
@@ -111211,6 +111406,11 @@
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o -MF CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o.d -o CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/tests/threadaffinitytest.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gpu_utils/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/typecasts.cpp.o -MF CMakeFiles/gpu_utils-test.dir/typecasts.cpp.o.d -o CMakeFiles/gpu_utils-test.dir/typecasts.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gpu_utils/tests/typecasts.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/hardware/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/hardware/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/hardware/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/device_management.cpp.o -MF CMakeFiles/hardware-test.dir/device_management.cpp.o.d -o CMakeFiles/hardware-test.dir/device_management.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/hardware/tests/device_management.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fft/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fft-test.dir/link.txt --verbose=1
 /usr/bin/make  -f src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build.make src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdspan/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdspan/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/DependInfo.cmake "--color="
@@ -111218,12 +111418,16 @@
 /usr/bin/make  -f src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build.make src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdspan/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o -MF CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o.d -o CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdspan/tests/accessor_policy.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fft-test.dir/link.d "CMakeFiles/fft-test.dir/fft.cpp.o" "CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/fft-test  ../../../../lib/libtestutils.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 68%] Built target fft-test
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_DYNAMIC_REGISTRATION=true -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdspan/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/mdspan.cpp.o -MF CMakeFiles/mdspan-test.dir/mdspan.cpp.o.d -o CMakeFiles/mdspan-test.dir/mdspan.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdspan/tests/mdspan.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/hardware-test.dir/link.d "CMakeFiles/hardware-test.dir/cpuinfo.cpp.o" "CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o" "CMakeFiles/hardware-test.dir/mockhardwaretopology.cpp.o" "CMakeFiles/hardware-test.dir/device_management.cpp.o" "CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/hardware-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 68%] Built target hardware-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdspan/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrunutility-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrunutility-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/ewald-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/wholemoleculetransform.cpp.o -MF CMakeFiles/mdlib-test.dir/wholemoleculetransform.cpp.o.d -o CMakeFiles/mdlib-test.dir/wholemoleculetransform.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/wholemoleculetransform.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/template_mp.cpp.o -MF CMakeFiles/utility-test.dir/template_mp.cpp.o.d -o CMakeFiles/utility-test.dir/template_mp.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/template_mp.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/ewald-test.dir/link.d "CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o" "CMakeFiles/ewald-test.dir/pmegathertest.cpp.o" "CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o" "CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o" "CMakeFiles/ewald-test.dir/pme.cpp.o" "CMakeFiles/ewald-test.dir/pmetestcommon.cpp.o" "CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/ewald-test  ../../../../lib/libtestutils.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 70%] Built target ewald-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/textreader.cpp.o -MF CMakeFiles/utility-test.dir/textreader.cpp.o.d -o CMakeFiles/utility-test.dir/textreader.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/textreader.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/textwriter.cpp.o -MF CMakeFiles/utility-test.dir/textwriter.cpp.o.d -o CMakeFiles/utility-test.dir/textwriter.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/textwriter.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdtypes/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdtypes/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdtypes/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdtypes/tests/CMakeFiles/mdtypes-test.dir/observablesreducer.cpp.o -MF CMakeFiles/mdtypes-test.dir/observablesreducer.cpp.o.d -o CMakeFiles/mdtypes-test.dir/observablesreducer.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdtypes/tests/observablesreducer.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdspan/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/extensions.cpp.o -MF CMakeFiles/mdspan-test.dir/extensions.cpp.o.d -o CMakeFiles/mdspan-test.dir/extensions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdspan/tests/extensions.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/cmake -P CMakeFiles/mdrunutility-test-shared.dir/cmake_clean_target.cmake
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test-shared.dir/link.txt --verbose=1
 /usr/bin/ar qc ../../../../lib/libmdrunutility-test-shared.a "CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o" "CMakeFiles/mdrunutility-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o"
 /usr/bin/ranlib ../../../../lib/libmdrunutility-test-shared.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 70%] Built target mdrunutility-test-shared
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/typetraits.cpp.o -MF CMakeFiles/utility-test.dir/typetraits.cpp.o.d -o CMakeFiles/utility-test.dir/typetraits.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/typetraits.cpp
+[ 68%] Built target mdrunutility-test-shared
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdtypes/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdtypes/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdtypes/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdtypes/tests/CMakeFiles/mdtypes-test.dir/observablesreducer.cpp.o -MF CMakeFiles/mdtypes-test.dir/observablesreducer.cpp.o.d -o CMakeFiles/mdtypes-test.dir/observablesreducer.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdtypes/tests/observablesreducer.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdspan/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/layouts.cpp.o -MF CMakeFiles/mdspan-test.dir/layouts.cpp.o.d -o CMakeFiles/mdspan-test.dir/layouts.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdspan/tests/layouts.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/complex.cpp.o -MF CMakeFiles/math-test.dir/complex.cpp.o.d -o CMakeFiles/math-test.dir/complex.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/math/tests/complex.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/ewald-test.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 70%] Built target ewald-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdtypes/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdtypes/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdtypes/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdtypes/tests/CMakeFiles/mdtypes-test.dir/checkpointdata.cpp.o -MF CMakeFiles/mdtypes-test.dir/checkpointdata.cpp.o.d -o CMakeFiles/mdtypes-test.dir/checkpointdata.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdtypes/tests/checkpointdata.cpp
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 /usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/DependInfo.cmake "--color="
@@ -111266,12 +111464,33 @@
 /usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/onlinehelp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o -MF CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o.d -o CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/onlinehelp/tests/helpformat.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 70%] Built target hardware-test
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 70%] Built target mdspan-test
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o -MF CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o.d -o CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/math/tests/exponentialmovingaverage.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/onlinehelp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o -MF CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o.d -o CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/onlinehelp/tests/helpmanager.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gpu_utils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gpu_utils-test.dir/link.txt --verbose=1
 /usr/bin/make  -f src/gromacs/options/tests/CMakeFiles/options-test.dir/build.make src/gromacs/options/tests/CMakeFiles/options-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests/CMakeFiles/options-test.dir/DependInfo.cmake "--color="
@@ -111279,10 +111498,9 @@
 /usr/bin/make  -f src/gromacs/options/tests/CMakeFiles/options-test.dir/build.make src/gromacs/options/tests/CMakeFiles/options-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o -MF CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o.d -o CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests/abstractoptionstorage.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlib-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gpu_utils-test.dir/link.d "CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o" "CMakeFiles/gpu_utils-test.dir/device_availability.cpp.o" "CMakeFiles/gpu_utils-test.dir/device_stream_manager.cpp.o" "CMakeFiles/gpu_utils-test.dir/pinnedmemorychecker.cpp.o" "CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o" "CMakeFiles/gpu_utils-test.dir/device_buffer.cpp.o" "CMakeFiles/gpu_utils-test.dir/gpueventsynchronizer.cpp.o" "CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o" "CMakeFiles/gpu_utils-test.dir/typecasts.cpp.o" "CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/gpu_utils-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 71%] Built target gpu_utils-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/functions.cpp.o -MF CMakeFiles/math-test.dir/functions.cpp.o.d -o CMakeFiles/math-test.dir/functions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/math/tests/functions.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/filenameoption.cpp.o -MF CMakeFiles/options-test.dir/filenameoption.cpp.o.d -o CMakeFiles/options-test.dir/filenameoption.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests/filenameoption.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test.dir/link.txt --verbose=1
 /usr/bin/make  -f src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build.make src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pbcutil/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/DependInfo.cmake "--color="
@@ -111290,54 +111508,43 @@
 /usr/bin/make  -f src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build.make src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pbcutil/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pbcutil/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/com.cpp.o -MF CMakeFiles/pbcutil-test.dir/com.cpp.o.d -o CMakeFiles/pbcutil-test.dir/com.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/tests/com.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 74%] Built target mdlib-test
+[ 70%] Built target onlinehelp-test
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 74%] Built target mdspan-test
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/onlinehelp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/option.cpp.o -MF CMakeFiles/options-test.dir/option.cpp.o.d -o CMakeFiles/options-test.dir/option.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests/option.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdtypes/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdtypes/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdtypes/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdtypes/tests/CMakeFiles/mdtypes-test.dir/multipletimestepping.cpp.o -MF CMakeFiles/mdtypes-test.dir/multipletimestepping.cpp.o.d -o CMakeFiles/mdtypes-test.dir/multipletimestepping.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdtypes/tests/multipletimestepping.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/multidimarray.cpp.o -MF CMakeFiles/math-test.dir/multidimarray.cpp.o.d -o CMakeFiles/math-test.dir/multidimarray.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/math/tests/multidimarray.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test.dir/link.txt --verbose=1
+[ 71%] Built target gpu_utils-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/stringtoenumvalueconverter.cpp.o -MF CMakeFiles/utility-test.dir/stringtoenumvalueconverter.cpp.o.d -o CMakeFiles/utility-test.dir/stringtoenumvalueconverter.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/stringtoenumvalueconverter.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pbcutil/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pbcutil/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/pbc.cpp.o -MF CMakeFiles/pbcutil-test.dir/pbc.cpp.o.d -o CMakeFiles/pbcutil-test.dir/pbc.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/tests/pbc.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/onlinehelp-test.dir/link.d "CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o" "CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o" "CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o" "CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/onlinehelp-test  ../../../../lib/libtestutils.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 74%] Built target onlinehelp-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/option.cpp.o -MF CMakeFiles/options-test.dir/option.cpp.o.d -o CMakeFiles/options-test.dir/option.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests/option.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdtypes/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdtypes-test.dir/link.txt --verbose=1
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/exponentialdistribution.cpp.o -MF CMakeFiles/random-test.dir/exponentialdistribution.cpp.o.d -o CMakeFiles/random-test.dir/exponentialdistribution.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/random/tests/exponentialdistribution.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdtypes/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdtypes/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdtypes/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdtypes/tests/CMakeFiles/mdtypes-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdtypes-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdtypes-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/utility-test.dir/link.d "CMakeFiles/utility-test.dir/alignedallocator.cpp.o" "CMakeFiles/utility-test.dir/arrayref.cpp.o" "CMakeFiles/utility-test.dir/booltype.cpp.o" "CMakeFiles/utility-test.dir/bitmask32.cpp.o" "CMakeFiles/utility-test.dir/bitmask64.cpp.o" "CMakeFiles/utility-test.dir/bitmask128.cpp.o" "CMakeFiles/utility-test.dir/cstringutil.cpp.o" "CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o" "CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o" "CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o" "CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o" "CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o" "CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o" "CMakeFiles/utility-test.dir/listoflists.cpp.o" "CMakeFiles/utility-test.dir/logger.cpp.o" "CMakeFiles/utility-test.dir/message_string_collector.cpp.o" "CMakeFiles/utility-test.dir/path.cpp.o" "CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o" "CMakeFiles/utility-test.dir/range.cpp.o" "CMakeFiles/utility-test.dir/scope_guard.cpp.o" "CMakeFiles/utility-test.dir/strconvert.cpp.o" "CMakeFiles/utility-test.dir/stringtoenumvalueconverter.cpp.o" "CMakeFiles/utility-test.dir/stringutil.cpp.o" "CMakeFiles/utility-test.dir/template_mp.cpp.o" "CMakeFiles/utility-test.dir/textreader.cpp.o" "CMakeFiles/utility-test.dir/textwriter.cpp.o" "CMakeFiles/utility-test.dir/typetraits.cpp.o" "CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/utility-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/mdgpugraph.cpp.o -MF CMakeFiles/mdlib-test.dir/mdgpugraph.cpp.o.d -o CMakeFiles/mdlib-test.dir/mdgpugraph.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/mdgpugraph.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdtypes-test.dir/link.d "CMakeFiles/mdtypes-test.dir/enerdata.cpp.o" "CMakeFiles/mdtypes-test.dir/observablesreducer.cpp.o" "CMakeFiles/mdtypes-test.dir/checkpointdata.cpp.o" "CMakeFiles/mdtypes-test.dir/forcebuffers.cpp.o" "CMakeFiles/mdtypes-test.dir/multipletimestepping.cpp.o" "CMakeFiles/mdtypes-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/mdtypes-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 75%] Built target utility-test
+[ 72%] Built target mdtypes-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pbcutil/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pbcutil/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o -MF CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o.d -o CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/tests/pbcenums.cpp
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 /usr/bin/make  -f src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build.make src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/restraint/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/restraint/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/DependInfo.cmake "--color="
@@ -111345,17 +111552,12 @@
 /usr/bin/make  -f src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build.make src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/restraint/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/restraint/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/manager.cpp.o -MF CMakeFiles/restraintpotential-test.dir/manager.cpp.o.d -o CMakeFiles/restraintpotential-test.dir/manager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/restraint/tests/manager.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/repeatingsection.cpp.o -MF CMakeFiles/options-test.dir/repeatingsection.cpp.o.d -o CMakeFiles/options-test.dir/repeatingsection.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests/repeatingsection.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/timeunitmanager.cpp.o -MF CMakeFiles/options-test.dir/timeunitmanager.cpp.o.d -o CMakeFiles/options-test.dir/timeunitmanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests/timeunitmanager.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/normaldistribution.cpp.o -MF CMakeFiles/random-test.dir/normaldistribution.cpp.o.d -o CMakeFiles/random-test.dir/normaldistribution.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/random/tests/normaldistribution.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pbcutil/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pbcutil-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdtypes/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdtypes-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pbcutil-test.dir/link.d "CMakeFiles/pbcutil-test.dir/com.cpp.o" "CMakeFiles/pbcutil-test.dir/mshift.cpp.o" "CMakeFiles/pbcutil-test.dir/pbc.cpp.o" "CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o" "CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/pbcutil-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 75%] Built target pbcutil-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/treesupport.cpp.o -MF CMakeFiles/options-test.dir/treesupport.cpp.o.d -o CMakeFiles/options-test.dir/treesupport.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests/treesupport.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdtypes-test.dir/link.d "CMakeFiles/mdtypes-test.dir/enerdata.cpp.o" "CMakeFiles/mdtypes-test.dir/observablesreducer.cpp.o" "CMakeFiles/mdtypes-test.dir/checkpointdata.cpp.o" "CMakeFiles/mdtypes-test.dir/forcebuffers.cpp.o" "CMakeFiles/mdtypes-test.dir/multipletimestepping.cpp.o" "CMakeFiles/mdtypes-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/mdtypes-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 76%] Built target mdtypes-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlib-test.dir/link.txt --verbose=1
+[ 72%] Built target pbcutil-test
 /usr/bin/make  -f src/gromacs/tables/tests/CMakeFiles/table-test.dir/build.make src/gromacs/tables/tests/CMakeFiles/table-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/tables/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tables/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tables/tests/CMakeFiles/table-test.dir/DependInfo.cmake "--color="
@@ -111363,11 +111565,14 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tables/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tables/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/tables/tests/CMakeFiles/table-test.dir/splinetable.cpp.o -MF CMakeFiles/table-test.dir/splinetable.cpp.o.d -o CMakeFiles/table-test.dir/splinetable.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/tables/tests/splinetable.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 75%] Built target mdlib-test
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/paddedvector.cpp.o -MF CMakeFiles/math-test.dir/paddedvector.cpp.o.d -o CMakeFiles/math-test.dir/paddedvector.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/math/tests/paddedvector.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tables/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tables/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/tables/tests/CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/timeunitmanager.cpp.o -MF CMakeFiles/options-test.dir/timeunitmanager.cpp.o.d -o CMakeFiles/options-test.dir/timeunitmanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests/timeunitmanager.cpp
 /usr/bin/make  -f src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build.make src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/taskassignment/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/DependInfo.cmake "--color="
@@ -111375,12 +111580,14 @@
 /usr/bin/make  -f src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build.make src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/taskassignment/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/taskassignment/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o -MF CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o.d -o CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/tests/usergpuids.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/textwriter.cpp.o -MF CMakeFiles/utility-test.dir/textwriter.cpp.o.d -o CMakeFiles/utility-test.dir/textwriter.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/textwriter.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/restraint/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/restraintpotential-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/vectypes.cpp.o -MF CMakeFiles/math-test.dir/vectypes.cpp.o.d -o CMakeFiles/math-test.dir/vectypes.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/math/tests/vectypes.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/restraintpotential-test.dir/link.d "CMakeFiles/restraintpotential-test.dir/manager.cpp.o" "CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/restraintpotential-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 76%] Built target restraintpotential-test
+[ 75%] Built target restraintpotential-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/timing/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/timing/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/timing/tests/CMakeFiles/timing-test.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/taskassignment/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/taskassignment/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/taskassignment-test.dir/link.d "CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o" "CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../CMakeFiles/taskassignment.dir/decidegpuusage.cpp.o ../CMakeFiles/taskassignment.dir/decidesimulationworkload.cpp.o ../CMakeFiles/taskassignment.dir/findallgputasks.cpp.o ../CMakeFiles/taskassignment.dir/reportgpuusage.cpp.o ../CMakeFiles/taskassignment.dir/resourcedivision.cpp.o ../CMakeFiles/taskassignment.dir/taskassignment.cpp.o ../CMakeFiles/taskassignment.dir/usergpuids.cpp.o -o ../../../../bin/taskassignment-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm ../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 75%] Built target taskassignment-test
 /usr/bin/make  -f src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build.make src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pulling/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/DependInfo.cmake "--color="
@@ -111404,8 +111623,10 @@
 /usr/bin/make  -f src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build.make src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pulling/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pulling/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/pull.cpp.o -MF CMakeFiles/pull-test.dir/pull.cpp.o.d -o CMakeFiles/pull-test.dir/pull.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/tests/pull.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pulling/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pulling/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/timing/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/timing-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/timing-test.dir/link.d "CMakeFiles/timing-test.dir/timing.cpp.o" "CMakeFiles/timing-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/timing-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 75%] Built target timing-test
 /usr/bin/make  -f src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build.make src/gromacs/simd/tests/CMakeFiles/simd-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests/CMakeFiles/simd-test.dir/DependInfo.cmake "--color="
@@ -111413,10 +111634,11 @@
 /usr/bin/make  -f src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build.make src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/base.cpp.o -MF CMakeFiles/simd-test.dir/base.cpp.o.d -o CMakeFiles/simd-test.dir/base.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/base.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/timing/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/timing-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/timing-test.dir/link.d "CMakeFiles/timing-test.dir/timing.cpp.o" "CMakeFiles/timing-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/timing-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 76%] Built target timing-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o -MF CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o.d -o CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/bootstrap_loadstore.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o -MF CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o.d -o CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/random/tests/uniformrealdistribution.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/options-test.dir/link.d "CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o" "CMakeFiles/options-test.dir/filenameoption.cpp.o" "CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o" "CMakeFiles/options-test.dir/option.cpp.o" "CMakeFiles/options-test.dir/optionsassigner.cpp.o" "CMakeFiles/options-test.dir/repeatingsection.cpp.o" "CMakeFiles/options-test.dir/timeunitmanager.cpp.o" "CMakeFiles/options-test.dir/treesupport.cpp.o" "CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/options-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 76%] Built target random-test
+[ 76%] Built target options-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/topology/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/topology/tests/CMakeFiles/topology-test.dir/mtop.cpp.o -MF CMakeFiles/topology-test.dir/mtop.cpp.o.d -o CMakeFiles/topology-test.dir/mtop.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/topology/tests/mtop.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/compat/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/compat/tests/CMakeFiles/compat-test.dir/pointers.cpp.o -MF CMakeFiles/compat-test.dir/pointers.cpp.o.d -o CMakeFiles/compat-test.dir/pointers.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/compat/tests/pointers.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/utility-test.dir/link.d "CMakeFiles/utility-test.dir/alignedallocator.cpp.o" "CMakeFiles/utility-test.dir/arrayref.cpp.o" "CMakeFiles/utility-test.dir/booltype.cpp.o" "CMakeFiles/utility-test.dir/bitmask32.cpp.o" "CMakeFiles/utility-test.dir/bitmask64.cpp.o" "CMakeFiles/utility-test.dir/bitmask128.cpp.o" "CMakeFiles/utility-test.dir/cstringutil.cpp.o" "CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o" "CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o" "CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o" "CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o" "CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o" "CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o" "CMakeFiles/utility-test.dir/listoflists.cpp.o" "CMakeFiles/utility-test.dir/logger.cpp.o" "CMakeFiles/utility-test.dir/message_string_collector.cpp.o" "CMakeFiles/utility-test.dir/path.cpp.o" "CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o" "CMakeFiles/utility-test.dir/range.cpp.o" "CMakeFiles/utility-test.dir/scope_guard.cpp.o" "CMakeFiles/utility-test.dir/strconvert.cpp.o" "CMakeFiles/utility-test.dir/stringtoenumvalueconverter.cpp.o" "CMakeFiles/utility-test.dir/stringutil.cpp.o" "CMakeFiles/utility-test.dir/template_mp.cpp.o" "CMakeFiles/utility-test.dir/textreader.cpp.o" "CMakeFiles/utility-test.dir/textwriter.cpp.o" "CMakeFiles/utility-test.dir/typetraits.cpp.o" "CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/utility-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 77%] Built target utility-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/scalar_math.cpp.o -MF CMakeFiles/simd-test.dir/scalar_math.cpp.o.d -o CMakeFiles/simd-test.dir/scalar_math.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/scalar_math.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/entropy.cpp.o -MF CMakeFiles/gmxana-test.dir/entropy.cpp.o.d -o CMakeFiles/gmxana-test.dir/entropy.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxana/tests/entropy.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 77%] Built target table-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/convparm.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/convparm.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/convparm.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/convparm.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/taskassignment/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/taskassignment-test.dir/link.txt --verbose=1
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 76%] Built target taskassignment-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o -MF CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o.d -o CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/bootstrap_loadstore.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/compat/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/compat/tests/CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 76%] Built target pull-test
+[ 77%] Built target random-test
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 76%] Built target compat-test
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd.cpp.o -MF CMakeFiles/simd-test.dir/simd.cpp.o.d -o CMakeFiles/simd-test.dir/simd.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/topology/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/topology/tests/CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxana/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxana-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gmxana-test.dir/link.d "CMakeFiles/gmxana-test.dir/entropy.cpp.o" "CMakeFiles/gmxana-test.dir/gmx_chi.cpp.o" "CMakeFiles/gmxana-test.dir/gmx_mindist.cpp.o" "CMakeFiles/gmxana-test.dir/gmx_traj.cpp.o" "CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/gmxana-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 76%] Built target gmxana-test
+[ 77%] Built target compat-test
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/gmx_mindist.cpp.o -MF CMakeFiles/gmxana-test.dir/gmx_mindist.cpp.o.d -o CMakeFiles/gmxana-test.dir/gmx_mindist.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxana/tests/gmx_mindist.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/DependInfo.cmake "--color="
@@ -111484,35 +111713,21 @@
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=1 -DGROMOS=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DOPLSAA=1 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/pdb2gmx.cpp.o -MF CMakeFiles/pdb2gmx1-test.dir/pdb2gmx.cpp.o.d -o CMakeFiles/pdb2gmx1-test.dir/pdb2gmx.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tables/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/table-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o -MF CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o.d -o CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_floatingpoint.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/table-test.dir/link.d "CMakeFiles/table-test.dir/splinetable.cpp.o" "CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/table-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 76%] Built target table-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/genconf.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/genconf.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/genconf.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/genconf.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o -MF CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o.d -o CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_floatingpoint_util.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=1 -DGROMOS=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DOPLSAA=1 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/options/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/options-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/options-test.dir/link.d "CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o" "CMakeFiles/options-test.dir/filenameoption.cpp.o" "CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o" "CMakeFiles/options-test.dir/option.cpp.o" "CMakeFiles/options-test.dir/optionsassigner.cpp.o" "CMakeFiles/options-test.dir/repeatingsection.cpp.o" "CMakeFiles/options-test.dir/timeunitmanager.cpp.o" "CMakeFiles/options-test.dir/treesupport.cpp.o" "CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/options-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 77%] Built target options-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/gmx_traj.cpp.o -MF CMakeFiles/gmxana-test.dir/gmx_traj.cpp.o.d -o CMakeFiles/gmxana-test.dir/gmx_traj.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxana/tests/gmx_traj.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/genion.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/topology/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/topology/tests/CMakeFiles/topology-test.dir/topsort.cpp.o -MF CMakeFiles/topology-test.dir/topsort.cpp.o.d -o CMakeFiles/topology-test.dir/topsort.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/topology/tests/topsort.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/genion.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=1 -DGROMOS=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o -MF CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o.d -o CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/genrestr.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/genrestr.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/genrestr.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/genrestr.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd_integer.cpp.o -MF CMakeFiles/simd-test.dir/simd_integer.cpp.o.d -o CMakeFiles/simd-test.dir/simd_integer.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_integer.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=1 -DGROMOS=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/pdb2gmx2-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/pdb2gmx2-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd_math.cpp.o -MF CMakeFiles/simd-test.dir/simd_math.cpp.o.d -o CMakeFiles/simd-test.dir/simd_math.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_math.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/gen_maxwell_velocities.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/gen_maxwell_velocities.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/gen_maxwell_velocities.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/gen_maxwell_velocities.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/topology/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/topology-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/topology-test.dir/link.d "CMakeFiles/topology-test.dir/atoms.cpp.o" "CMakeFiles/topology-test.dir/exclusionblocks.cpp.o" "CMakeFiles/topology-test.dir/idef.cpp.o" "CMakeFiles/topology-test.dir/index.cpp.o" "CMakeFiles/topology-test.dir/mtop.cpp.o" "CMakeFiles/topology-test.dir/symtab.cpp.o" "CMakeFiles/topology-test.dir/topsort.cpp.o" "CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/topology-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 79%] Built target topology-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxana/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxana-test.dir/link.txt --verbose=1
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/DependInfo.cmake "--color="
@@ -111520,8 +111735,15 @@
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=1 -DCHARMM=1 -DGMX_DOUBLE=1 -DGROMOS=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/pdb2gmx.cpp.o -MF CMakeFiles/pdb2gmx3-test.dir/pdb2gmx.cpp.o.d -o CMakeFiles/pdb2gmx3-test.dir/pdb2gmx.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 77%] Built target gmxana-test
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=1 -DCHARMM=1 -DGMX_DOUBLE=1 -DGROMOS=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/pdb2gmx3-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/pdb2gmx3-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/correlationfunctions/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/correlationfunctions/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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 /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_math.cpp: In static member function 'static std::vector<double, std::allocator<double> > gmx::test::SimdMathTest::generateTestPoints(Range, std::size_t)':
 /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_math.cpp:182:19: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
   182 | std::vector<real> SimdMathTest::generateTestPoints(Range inputRange, std::size_t inputPoints)
       |                   ^~~~~~~~~~~~
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd_memory.cpp.o -MF CMakeFiles/simd-test.dir/simd_memory.cpp.o.d -o CMakeFiles/simd-test.dir/simd_memory.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_memory.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 79%] Built target pdb2gmx1-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/analysisdata-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/analysisdata-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/gpp_atomtype.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/gpp_atomtype.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/gpp_atomtype.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/gpp_atomtype.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/expfit.cpp.o -MF CMakeFiles/correlations-test.dir/expfit.cpp.o.d -o CMakeFiles/correlations-test.dir/expfit.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/correlationfunctions/tests/expfit.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx2-test.dir/link.txt --verbose=1
 /usr/bin/make  -f src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/build.make src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/coordinateio/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/DependInfo.cmake "--color="
@@ -111554,9 +111787,13 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/builder.cpp.o -MF CMakeFiles/coordinateio-test.dir/builder.cpp.o.d -o CMakeFiles/coordinateio-test.dir/builder.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/builder.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pdb2gmx1-test.dir/link.d "CMakeFiles/pdb2gmx1-test.dir/pdb2gmx.cpp.o" "CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/pdb2gmx1-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pdb2gmx2-test.dir/link.d "CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o" "CMakeFiles/pdb2gmx2-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/pdb2gmx2-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 79%] Built target pdb2gmx1-test
+[ 79%] Built target pdb2gmx2-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/gpp_bond_atomtype.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/gpp_bond_atomtype.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/gpp_bond_atomtype.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/gpp_bond_atomtype.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd4_vector_operations.cpp.o -MF CMakeFiles/simd-test.dir/simd4_vector_operations.cpp.o.d -o CMakeFiles/simd-test.dir/simd4_vector_operations.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd4_vector_operations.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/manyautocorrelation.cpp.o -MF CMakeFiles/correlations-test.dir/manyautocorrelation.cpp.o.d -o CMakeFiles/correlations-test.dir/manyautocorrelation.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/correlationfunctions/tests/manyautocorrelation.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o -MF CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o.d -o CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/outputadaptercontainer.cpp
 /usr/bin/make  -f src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/build.make src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/energyanalysis/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/DependInfo.cmake "--color="
@@ -111564,16 +111801,16 @@
 /usr/bin/make  -f src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/build.make src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/energyanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/energyanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/energyanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/energyterm.cpp.o -MF CMakeFiles/energyanalysis-test.dir/energyterm.cpp.o.d -o CMakeFiles/energyanalysis-test.dir/energyterm.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/tests/energyterm.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx2-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pdb2gmx2-test.dir/link.d "CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o" "CMakeFiles/pdb2gmx2-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/pdb2gmx2-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 79%] Built target pdb2gmx2-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/mock_datamodule.cpp.o -MF CMakeFiles/analysisdata-test-shared.dir/mock_datamodule.cpp.o.d -o CMakeFiles/analysisdata-test-shared.dir/mock_datamodule.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/analysisdata/tests/mock_datamodule.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o -MF CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o.d -o CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/outputadaptercontainer.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/grompp_directives.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/grompp_directives.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/grompp_directives.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/grompp_directives.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/insert_molecules.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/insert_molecules.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/insert_molecules.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/insert_molecules.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/outputadapters.cpp.o -MF CMakeFiles/coordinateio-test.dir/outputadapters.cpp.o.d -o CMakeFiles/coordinateio-test.dir/outputadapters.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/outputadapters.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/correlationfunctions/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/correlations-test.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 80%] Built target pdb2gmx3-test
 /usr/bin/make  -f src/gromacs/tools/tests/CMakeFiles/tool-test.dir/build.make src/gromacs/tools/tests/CMakeFiles/tool-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/tools/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/CMakeFiles/tool-test.dir/DependInfo.cmake "--color="
@@ -111581,34 +111818,13 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/tools/tests/CMakeFiles/tool-test.dir/dump.cpp.o -MF CMakeFiles/tool-test.dir/dump.cpp.o.d -o CMakeFiles/tool-test.dir/dump.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/tools/tests/dump.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx3-test.dir/link.txt --verbose=1
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 80%] Built target pdb2gmx3-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/insert_molecules.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/insert_molecules.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/insert_molecules.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/insert_molecules.cpp
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 81%] Built target math-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/readir.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/readir.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/readir.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/readir.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/correlationfunctions/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/correlations-test.dir/link.txt --verbose=1
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 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/correlations-test.dir/link.d "CMakeFiles/correlations-test.dir/autocorr.cpp.o" "CMakeFiles/correlations-test.dir/correlationdataset.cpp.o" "CMakeFiles/correlations-test.dir/expfit.cpp.o" "CMakeFiles/correlations-test.dir/manyautocorrelation.cpp.o" "CMakeFiles/correlations-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/correlations-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 83%] Built target correlations-test
+[ 81%] Built target correlations-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/tools/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/CMakeFiles/tool-test-with-leaks.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/tools/tests/CMakeFiles/tool-test-with-leaks.dir/convert-tpr-with-leaks.cpp.o -MF CMakeFiles/tool-test-with-leaks.dir/convert-tpr-with-leaks.cpp.o.d -o CMakeFiles/tool-test-with-leaks.dir/convert-tpr-with-leaks.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/tools/tests/convert-tpr-with-leaks.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 83%] Built target simd-test
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 [ 83%] Built target energyanalysis-test
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 84%] Built target simd-test
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 85%] Built target gmxpreprocess-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/tools/tests/CMakeFiles/tool-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/tool-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/tool-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/setbothtime.cpp.o -MF CMakeFiles/coordinateio-test.dir/setbothtime.cpp.o.d -o CMakeFiles/coordinateio-test.dir/setbothtime.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/setbothtime.cpp
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+/usr/bin/ranlib ../../../../lib/libanalysisdata-test-shared.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 85%] Built target tool-test-with-leaks
+[ 83%] Built target analysisdata-test-shared
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/filemd5.cpp.o -MF CMakeFiles/fileio-test.dir/filemd5.cpp.o.d -o CMakeFiles/fileio-test.dir/filemd5.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/tests/filemd5.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/cmake -P CMakeFiles/analysisdata-test-shared.dir/cmake_clean_target.cmake
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxpreprocess-test.dir/link.txt --verbose=1
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/DependInfo.cmake "--color="
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/matio.cpp.o -MF CMakeFiles/fileio-test.dir/matio.cpp.o.d -o CMakeFiles/fileio-test.dir/matio.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/tests/matio.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/mimic.cpp.o -MF CMakeFiles/mdrun-modules-test.dir/mimic.cpp.o.d -o CMakeFiles/mdrun-modules-test.dir/mimic.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/mimic.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-modules-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-modules-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/coordinateio-test.dir/link.txt --verbose=1
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/math/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/math-test.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 85%] Built target coordinateio-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/initialconstraints.cpp.o -MF CMakeFiles/mdrun-io-test.dir/initialconstraints.cpp.o.d -o CMakeFiles/mdrun-io-test.dir/initialconstraints.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/initialconstraints.cpp
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+[ 85%] Built target math-test
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 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/DependInfo.cmake "--color="
@@ -111724,19 +111945,12 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/dispersion_correction.cpp.o -MF CMakeFiles/mdrun-single-rank-algorithms-test.dir/dispersion_correction.cpp.o.d -o CMakeFiles/mdrun-single-rank-algorithms-test.dir/dispersion_correction.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/dispersion_correction.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o -MF CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o.d -o CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/tests/mrcdensitymapheader.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/readinp.cpp.o -MF CMakeFiles/fileio-test.dir/readinp.cpp.o.d -o CMakeFiles/fileio-test.dir/readinp.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/tests/readinp.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/trajectory_writing.cpp.o -MF CMakeFiles/mdrun-output-test.dir/trajectory_writing.cpp.o.d -o CMakeFiles/mdrun-output-test.dir/trajectory_writing.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/trajectory_writing.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-modules-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/ewaldsurfaceterm.cpp.o -MF CMakeFiles/mdrun-single-rank-algorithms-test.dir/ewaldsurfaceterm.cpp.o.d -o CMakeFiles/mdrun-single-rank-algorithms-test.dir/ewaldsurfaceterm.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/ewaldsurfaceterm.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/coordinateio-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/coordinateio-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-modules-test.dir/link.d "CMakeFiles/mdrun-modules-test.dir/densityfittingmodule.cpp.o" "CMakeFiles/mdrun-modules-test.dir/interactiveMD.cpp.o" "CMakeFiles/mdrun-modules-test.dir/mimic.cpp.o" "CMakeFiles/mdrun-modules-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-modules-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o -MF CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o.d -o CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/tests/mrcdensitymap.cpp
 [ 85%] Built target mdrun-modules-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/selection/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/selection/tests/CMakeFiles/selection-test.dir/selectionoption.cpp.o -MF CMakeFiles/selection-test.dir/selectionoption.cpp.o.d -o CMakeFiles/selection-test.dir/selectionoption.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/selection/tests/selectionoption.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/minimize-test.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/minimize-test.dir/minimize.cpp.o -MF CMakeFiles/minimize-test.dir/minimize.cpp.o.d -o CMakeFiles/minimize-test.dir/minimize.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/minimize.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 85%] Built target coordinateio-test
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/selection/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/selection/tests/CMakeFiles/selection-test.dir/toputils.cpp.o -MF CMakeFiles/selection-test.dir/toputils.cpp.o.d -o CMakeFiles/selection-test.dir/toputils.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/selection/tests/toputils.cpp
 [ 87%] Built target mdrun-output-test
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/DependInfo.cmake "--color="
@@ -111764,10 +111991,6 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/nonbonded_bench.cpp.o -MF CMakeFiles/mdrun-non-integrator-test.dir/nonbonded_bench.cpp.o.d -o CMakeFiles/mdrun-non-integrator-test.dir/nonbonded_bench.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/nonbonded_bench.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/xvgio.cpp.o -MF CMakeFiles/fileio-test.dir/xvgio.cpp.o.d -o CMakeFiles/fileio-test.dir/xvgio.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/tests/xvgio.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-single-rank-algorithms-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-single-rank-algorithms-test.dir/link.d "CMakeFiles/mdrun-single-rank-algorithms-test.dir/dispersion_correction.cpp.o" "CMakeFiles/mdrun-single-rank-algorithms-test.dir/ewaldsurfaceterm.cpp.o" "CMakeFiles/mdrun-single-rank-algorithms-test.dir/orires.cpp.o" "CMakeFiles/mdrun-single-rank-algorithms-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-single-rank-algorithms-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 [ 87%] Built target mdrun-single-rank-algorithms-test
@@ -111778,20 +112001,30 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o -MF CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o.d -o CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/tpitest.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o -MF CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o.d -o CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/tests/fileioxdrserializer.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-io-test.dir/link.txt --verbose=1
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/normalmodes.cpp.o -MF CMakeFiles/mdrun-non-integrator-test.dir/normalmodes.cpp.o.d -o CMakeFiles/mdrun-non-integrator-test.dir/normalmodes.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/normalmodes.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/boxdeformation.cpp.o -MF CMakeFiles/mdrun-test.dir/boxdeformation.cpp.o.d -o CMakeFiles/mdrun-test.dir/boxdeformation.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/boxdeformation.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/minimize-test.dir/link.txt --verbose=1
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/boxdeformation.cpp.o -MF CMakeFiles/mdrun-test.dir/boxdeformation.cpp.o.d -o CMakeFiles/mdrun-test.dir/boxdeformation.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/boxdeformation.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 87%] Built target mdrun-io-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-test.dir/DependInfo.cmake "--color="
@@ -111799,23 +112032,15 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-test.dir/multisim.cpp.o -MF CMakeFiles/mdrun-multisim-test.dir/multisim.cpp.o.d -o CMakeFiles/mdrun-multisim-test.dir/multisim.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/multisim.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o -MF CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o.d -o CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/rerun.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/selection/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/selection/tests/CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o -MF CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o.d -o CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/simple_mdrun.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/minimize-test.dir/link.txt --verbose=1
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-tpi-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/minimize-test.dir/link.d "CMakeFiles/minimize-test.dir/minimize.cpp.o" "CMakeFiles/minimize-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/minimize-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 87%] Built target minimize-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-tpi-test.dir/link.d "CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o" "CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-tpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 [ 87%] Built target mdrun-tpi-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o -MF CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o.d -o CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/mimic.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-test.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/selection-test.dir/link.d "CMakeFiles/selection-test.dir/indexutil.cpp.o" "CMakeFiles/selection-test.dir/nbsearch.cpp.o" "CMakeFiles/selection-test.dir/poscalc.cpp.o" "CMakeFiles/selection-test.dir/selectioncollection.cpp.o" "CMakeFiles/selection-test.dir/selectionoption.cpp.o" "CMakeFiles/selection-test.dir/toputils.cpp.o" "CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/selection-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 88%] Built target fileio-test
+[ 87%] Built target selection-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-test.dir/replicaexchange.cpp.o -MF CMakeFiles/mdrun-multisim-replex-test.dir/replicaexchange.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-test.dir/replicaexchange.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/replicaexchange.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/multisimtest.cpp.o -MF CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/multisimtest.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/multisimtest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/multisimtest.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-multisim-replex-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-test.dir/link.txt --verbose=1
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/replicaexchange_equivalence.cpp.o -MF CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/replicaexchange_equivalence.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/replicaexchange_equivalence.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/replicaexchange_equivalence.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/selection/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/selection-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-multisim-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-multisim-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/selection-test.dir/link.d "CMakeFiles/selection-test.dir/indexutil.cpp.o" "CMakeFiles/selection-test.dir/nbsearch.cpp.o" "CMakeFiles/selection-test.dir/poscalc.cpp.o" "CMakeFiles/selection-test.dir/selectioncollection.cpp.o" "CMakeFiles/selection-test.dir/selectionoption.cpp.o" "CMakeFiles/selection-test.dir/toputils.cpp.o" "CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/selection-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 88%] Built target selection-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/DependInfo.cmake "--color="
@@ -111846,7 +112071,10 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/pmetest.cpp.o -MF CMakeFiles/mdrun-mpi-pme-test.dir/pmetest.cpp.o.d -o CMakeFiles/mdrun-mpi-pme-test.dir/pmetest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/pmetest.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-mpi-pme-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-mpi-pme-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-test.dir/link.d "CMakeFiles/mdrun-test.dir/multiple_time_stepping.cpp.o" "CMakeFiles/mdrun-test.dir/swapcoords.cpp.o" "CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o" "CMakeFiles/mdrun-test.dir/freezegroups.cpp.o" "CMakeFiles/mdrun-test.dir/constantacceleration.cpp.o" "CMakeFiles/mdrun-test.dir/boxdeformation.cpp.o" "CMakeFiles/mdrun-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 88%] Built target mdrun-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/DependInfo.cmake "--color="
@@ -111854,11 +112082,7 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions.cpp.o -MF CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions.cpp.o.d -o CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-test.dir/replicaexchange.cpp.o -MF CMakeFiles/mdrun-multisim-replex-test.dir/replicaexchange.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-test.dir/replicaexchange.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/replicaexchange.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-test.dir/link.d "CMakeFiles/mdrun-test.dir/multiple_time_stepping.cpp.o" "CMakeFiles/mdrun-test.dir/swapcoords.cpp.o" "CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o" "CMakeFiles/mdrun-test.dir/freezegroups.cpp.o" "CMakeFiles/mdrun-test.dir/constantacceleration.cpp.o" "CMakeFiles/mdrun-test.dir/boxdeformation.cpp.o" "CMakeFiles/mdrun-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 89%] Built target mdrun-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o -MF CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o.d -o CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions_basic.cpp
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/DependInfo.cmake "--color="
@@ -111866,6 +112090,7 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions.cpp.o -MF CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions.cpp.o.d -o CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o -MF CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o.d -o CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions_coupling.cpp
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/DependInfo.cmake "--color="
@@ -111873,11 +112098,20 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions.cpp.o -MF CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions.cpp.o.d -o CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-multisim-replex-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-multisim-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileio-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-multisim-test.dir/link.d "CMakeFiles/mdrun-multisim-test.dir/multisim.cpp.o" "CMakeFiles/mdrun-multisim-test.dir/multisimtest.cpp.o" "CMakeFiles/mdrun-multisim-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-multisim-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 89%] Built target mdrun-multisim-test
+[ 88%] Built target mdrun-multisim-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fileio-test.dir/link.d "CMakeFiles/fileio-test.dir/checkpoint.cpp.o" "CMakeFiles/fileio-test.dir/confio.cpp.o" "CMakeFiles/fileio-test.dir/filemd5.cpp.o" "CMakeFiles/fileio-test.dir/filetypes.cpp.o" "CMakeFiles/fileio-test.dir/matio.cpp.o" "CMakeFiles/fileio-test.dir/mrcserializer.cpp.o" "CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o" "CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o" "CMakeFiles/fileio-test.dir/readinp.cpp.o" "CMakeFiles/fileio-test.dir/timecontrol.cpp.o" "CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o" "CMakeFiles/fileio-test.dir/tngio.cpp.o" "CMakeFiles/fileio-test.dir/xvgio.cpp.o" "CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/fileio-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 89%] Built target fileio-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-coordination-coupling-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-coordination-coupling-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-mpi-test.dir/link.d "CMakeFiles/mdrun-mpi-test.dir/domain_decomposition.cpp.o" "CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o" "CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 89%] Built target mdrun-mpi-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/DependInfo.cmake "--color="
@@ -111885,6 +112119,14 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/expandedensemble.cpp.o -MF CMakeFiles/mdrun-fep-test.dir/expandedensemble.cpp.o.d -o CMakeFiles/mdrun-fep-test.dir/expandedensemble.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/expandedensemble.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/freeenergy.cpp.o -MF CMakeFiles/mdrun-fep-test.dir/freeenergy.cpp.o.d -o CMakeFiles/mdrun-fep-test.dir/freeenergy.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/freeenergy.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-fep-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-fep-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-non-integrator-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-non-integrator-test.dir/link.d "CMakeFiles/mdrun-non-integrator-test.dir/nonbonded_bench.cpp.o" "CMakeFiles/mdrun-non-integrator-test.dir/normalmodes.cpp.o" "CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o" "CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o" "CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-non-integrator-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 89%] Built target mdrun-non-integrator-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions_constraints.cpp.o -MF CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions_constraints.cpp.o.d -o CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions_constraints.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions_constraints.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/DependInfo.cmake "--color="
@@ -111892,22 +112134,8 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/pull.cpp.o -MF CMakeFiles/mdrun-pull-test.dir/pull.cpp.o.d -o CMakeFiles/mdrun-pull-test.dir/pull.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/pull.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-mpi-test.dir/link.d "CMakeFiles/mdrun-mpi-test.dir/domain_decomposition.cpp.o" "CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o" "CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 89%] Built target mdrun-mpi-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-pull-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/freeenergy.cpp.o -MF CMakeFiles/mdrun-fep-test.dir/freeenergy.cpp.o.d -o CMakeFiles/mdrun-fep-test.dir/freeenergy.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/freeenergy.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o -MF CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o.d -o CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions_basic.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-non-integrator-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-non-integrator-test.dir/link.d "CMakeFiles/mdrun-non-integrator-test.dir/nonbonded_bench.cpp.o" "CMakeFiles/mdrun-non-integrator-test.dir/normalmodes.cpp.o" "CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o" "CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o" "CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-non-integrator-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 89%] Built target mdrun-non-integrator-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions_constraints.cpp.o -MF CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions_constraints.cpp.o.d -o CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions_constraints.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions_constraints.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o -MF CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o.d -o CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions_coupling.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-coordination-coupling-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-coordination-coupling-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-mpi-pme-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-mpi-pme-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-multisim-replex-test.dir/link.txt --verbose=1
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-rotation-test.dir/DependInfo.cmake "--color="
@@ -111915,13 +112143,17 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-rotation-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-rotation-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-rotation-test.dir/pull_rotation.cpp.o -MF CMakeFiles/mdrun-rotation-test.dir/pull_rotation.cpp.o.d -o CMakeFiles/mdrun-rotation-test.dir/pull_rotation.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/pull_rotation.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 89%] Built target mdrun-multisim-replex-test
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-pme-test.dir/link.txt --verbose=1
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-mpi-pme-test.dir/link.d "CMakeFiles/mdrun-mpi-pme-test.dir/pmetest.cpp.o" "CMakeFiles/mdrun-mpi-pme-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-mpi-pme-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-coordination-coupling-test.dir/link.d "CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions.cpp.o" "CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o" "CMakeFiles/mdrun-coordination-coupling-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-coordination-coupling-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 89%] Built target mdrun-mpi-pme-test
+[ 89%] Built target mdrun-coordination-coupling-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-simulator-comparison-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-simulator-comparison-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-simulator-comparison-test.dir/DependInfo.cmake "--color="
@@ -111929,7 +112161,13 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-simulator-comparison-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-simulator-comparison-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-simulator-comparison-test.dir/simulator.cpp.o -MF CMakeFiles/mdrun-simulator-comparison-test.dir/simulator.cpp.o.d -o CMakeFiles/mdrun-simulator-comparison-test.dir/simulator.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/simulator.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-coordination-basic-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-coordination-basic-test.dir/link.d "CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions.cpp.o" "CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o" "CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-coordination-basic-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 89%] Built target mdrun-coordination-basic-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-mpi-pme-test.dir/link.d "CMakeFiles/mdrun-mpi-pme-test.dir/pmetest.cpp.o" "CMakeFiles/mdrun-mpi-pme-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-mpi-pme-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 89%] Built target mdrun-mpi-pme-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/DependInfo.cmake "--color="
@@ -111937,9 +112175,6 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/virtualsites.cpp.o -MF CMakeFiles/mdrun-vsites-test.dir/virtualsites.cpp.o.d -o CMakeFiles/mdrun-vsites-test.dir/virtualsites.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/virtualsites.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-coordination-basic-test.dir/link.d "CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions.cpp.o" "CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o" "CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-coordination-basic-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 89%] Built target mdrun-coordination-basic-test
 /usr/bin/make  -f api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/build.make api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/DependInfo.cmake "--color="
@@ -111947,18 +112182,19 @@
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-multisim-replex-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-multisim-replex-test.dir/link.d "CMakeFiles/mdrun-multisim-replex-test.dir/multisimtest.cpp.o" "CMakeFiles/mdrun-multisim-replex-test.dir/replicaexchange.cpp.o" "CMakeFiles/mdrun-multisim-replex-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-multisim-replex-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
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-[ 89%] Built target mdrun-multisim-replex-test
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/runner.cpp.o -MF CMakeFiles/gmxapi-test.dir/runner.cpp.o.d -o CMakeFiles/gmxapi-test.dir/runner.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/runner.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/workflow/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/workflow/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-coordination-constraints-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-coordination-constraints-test.dir/link.d "CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions.cpp.o" "CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions_constraints.cpp.o" "CMakeFiles/mdrun-coordination-constraints-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-coordination-constraints-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 89%] Built target mdrun-coordination-constraints-test
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@@ -111966,10 +112202,8 @@
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 89%] Built target mdrun-coordination-constraints-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integrator-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-integrator-test.dir/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-integrator-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-vsites-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-vsites-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 /usr/bin/make  -f api/nblib/tests/CMakeFiles/nblib-setup-test.dir/build.make api/nblib/tests/CMakeFiles/nblib-setup-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/CMakeFiles/nblib-setup-test.dir/DependInfo.cmake "--color="
@@ -111977,34 +112211,19 @@
 /usr/bin/make  -f api/nblib/tests/CMakeFiles/nblib-setup-test.dir/build.make api/nblib/tests/CMakeFiles/nblib-setup-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/box.cpp.o -MF CMakeFiles/nblib-setup-test.dir/box.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/box.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/box.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-coordination-coupling-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/interactions.cpp.o -MF CMakeFiles/nblib-setup-test.dir/interactions.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/interactions.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/interactions.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-coordination-coupling-test.dir/link.d "CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions.cpp.o" "CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o" "CMakeFiles/mdrun-coordination-coupling-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-coordination-coupling-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 89%] Built target mdrun-coordination-coupling-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/workflow/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/workflow/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/runner.cpp.o -MF CMakeFiles/gmxapi-test.dir/runner.cpp.o.d -o CMakeFiles/gmxapi-test.dir/runner.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/runner.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/link.d "CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/multisimtest.cpp.o" "CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/replicaexchange_equivalence.cpp.o" "CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-multisim-replex-equivalence-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 90%] Built target mdrun-multisim-replex-equivalence-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integrator-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-integrator-test.dir/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-integrator-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/particletype.cpp.o -MF CMakeFiles/nblib-setup-test.dir/particletype.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/particletype.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/particletype.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/workflow/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/workflow-details-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/workflow-details-test.dir/link.d "CMakeFiles/workflow-details-test.dir/workflow.cpp.o" "CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o" ../../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../../bin/workflow-details-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgmxapi_d.so.0.4.0 ../../../../../lib/libmdrun_test_infrastructure.a ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgmock.so.1.13.0 ../../../../../lib/libgtest.so.1.13.0
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-rotation-test.dir/link.txt --verbose=1
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-tpr-test.dir/tpr.cpp.o -MF CMakeFiles/nblib-tpr-test.dir/tpr.cpp.o.d -o CMakeFiles/nblib-tpr-test.dir/tpr.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/tpr.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-rotation-test.dir/link.d "CMakeFiles/mdrun-rotation-test.dir/pull_rotation.cpp.o" "CMakeFiles/mdrun-rotation-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-rotation-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/workflow/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/workflow-details-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-tpr-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-tpr-test.dir/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-tpr-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/link.d "CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/multisimtest.cpp.o" "CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/replicaexchange_equivalence.cpp.o" "CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-multisim-replex-equivalence-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 92%] Built target mdrun-rotation-test
+[ 90%] Built target mdrun-multisim-replex-equivalence-test
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@@ -112012,13 +112231,9 @@
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integration-test.dir/gmxcalculator.cpp.o -MF CMakeFiles/nblib-integration-test.dir/gmxcalculator.cpp.o.d -o CMakeFiles/nblib-integration-test.dir/gmxcalculator.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/gmxcalculator.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-pull-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/pbcholder.cpp.o -MF CMakeFiles/nblib-setup-test.dir/pbcholder.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/pbcholder.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/pbcholder.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/molecules.cpp.o -MF CMakeFiles/nblib-setup-test.dir/molecules.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/molecules.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/molecules.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-fep-test.dir/link.txt --verbose=1
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/workflow-details-test.dir/link.d "CMakeFiles/workflow-details-test.dir/workflow.cpp.o" "CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o" ../../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../../bin/workflow-details-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgmxapi_d.so.0.4.0 ../../../../../lib/libmdrun_test_infrastructure.a ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgmock.so.1.13.0 ../../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 92%] Built target mdrun-pull-test
+[ 92%] Built target workflow-details-test
 /usr/bin/make  -f api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/build.make api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/DependInfo.cmake "--color="
@@ -112026,33 +112241,34 @@
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/bondtypes.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/bondtypes.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/bondtypes.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/bondtypes.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-rotation-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/particletype.cpp.o -MF CMakeFiles/nblib-setup-test.dir/particletype.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/particletype.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/particletype.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 93%] Built target mdrun-fep-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integration-test.dir/nbkernelsystem.cpp.o -MF CMakeFiles/nblib-integration-test.dir/nbkernelsystem.cpp.o.d -o CMakeFiles/nblib-integration-test.dir/nbkernelsystem.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/nbkernelsystem.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-vsites-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-vsites-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-tpr-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-tpr-test.dir/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-tpr-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+[ 92%] Built target mdrun-rotation-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/status.cpp.o -MF CMakeFiles/gmxapi-test.dir/status.cpp.o.d -o CMakeFiles/gmxapi-test.dir/status.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/status.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/nbnxmsetup.cpp.o -MF CMakeFiles/nblib-setup-test.dir/nbnxmsetup.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/nbnxmsetup.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/nbnxmsetup.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o -MF CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o.d -o CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/stopsignaler.cpp
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 93%] Built target mdrun-simulator-comparison-test
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-vsites-test.dir/link.d "CMakeFiles/mdrun-vsites-test.dir/virtualsites.cpp.o" "CMakeFiles/mdrun-vsites-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-vsites-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-integrator-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-simulator-comparison-test.dir/link.d "CMakeFiles/mdrun-simulator-comparison-test.dir/simulator.cpp.o" "CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-simulator-comparison-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 93%] Built target mdrun-vsites-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/version.cpp.o -MF CMakeFiles/gmxapi-test.dir/version.cpp.o.d -o CMakeFiles/gmxapi-test.dir/version.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/version.cpp
+[ 92%] Built target mdrun-simulator-comparison-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/pbcholder.cpp.o -MF CMakeFiles/nblib-setup-test.dir/pbcholder.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/pbcholder.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/pbcholder.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-tpr-test.dir/link.d "CMakeFiles/nblib-tpr-test.dir/tpr.cpp.o" "CMakeFiles/nblib-tpr-test.dir/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../bin/nblib-tpr-test  ../../../lib/libtestutils.a ../../../lib/libmdrun_test_infrastructure.a ../../../lib/libnblib_test_infrastructure.a ../../../lib/libnblib_gmx.so.0.1.0 ../../../lib/libtestutils.a ../../../lib/libgmock.so.1.13.0 ../../../lib/libgtest.so.1.13.0 ../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 93%] Built target nblib-tpr-test
+[ 92%] Built target nblib-tpr-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o -MF CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o.d -o CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/stopsignaler.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-fep-test.dir/link.d "CMakeFiles/mdrun-fep-test.dir/expandedensemble.cpp.o" "CMakeFiles/mdrun-fep-test.dir/freeenergy.cpp.o" "CMakeFiles/mdrun-fep-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-fep-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 93%] Built target mdrun-fep-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/system.cpp.o -MF CMakeFiles/gmxapi-test.dir/system.cpp.o.d -o CMakeFiles/gmxapi-test.dir/system.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/system.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integration-test.dir/simstate.cpp.o -MF CMakeFiles/nblib-integration-test.dir/simstate.cpp.o.d -o CMakeFiles/nblib-integration-test.dir/simstate.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/simstate.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integration-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-integration-test.dir/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-integration-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib/util/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/util/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/util/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/util/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/util/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/setup.cpp.o -MF CMakeFiles/nblib-util-test.dir/setup.cpp.o.d -o CMakeFiles/nblib-util-test.dir/setup.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/util/tests/setup.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 93%] Built target mdrun-vsites-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/util/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/util/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/util/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/traits.cpp.o -MF CMakeFiles/nblib-util-test.dir/traits.cpp.o.d -o CMakeFiles/nblib-util-test.dir/traits.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/util/tests/traits.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/version.cpp.o -MF CMakeFiles/gmxapi-test.dir/version.cpp.o.d -o CMakeFiles/gmxapi-test.dir/version.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/version.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/util/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/util/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/util/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-util-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-util-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-integrator-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-pull-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/nbnxmsetup.cpp.o -MF CMakeFiles/nblib-setup-test.dir/nbnxmsetup.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/nbnxmsetup.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/nbnxmsetup.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-integrator-test.dir/link.d "CMakeFiles/nblib-integrator-test.dir/integrator.cpp.o" "CMakeFiles/nblib-integrator-test.dir/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../bin/nblib-integrator-test  ../../../lib/libtestutils.a ../../../lib/libnblib_test_infrastructure.a ../../../lib/libnblib_gmx.so.0.1.0 ../../../lib/libtestutils.a ../../../lib/libgmock.so.1.13.0 ../../../lib/libgtest.so.1.13.0 ../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-pull-test.dir/link.d "CMakeFiles/mdrun-pull-test.dir/pull.cpp.o" "CMakeFiles/mdrun-pull-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-pull-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 93%] Built target mdrun-pull-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/gmxapi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/gmxapi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 [ 94%] Built target nblib-integrator-test
 /usr/bin/make  -f src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/build.make src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
@@ -112071,18 +112300,16 @@
 /usr/bin/make  -f src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/build.make src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/plumed/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/plumed_md_test.cpp.o -MF CMakeFiles/plumed_md-test.dir/plumed_md_test.cpp.o.d -o CMakeFiles/plumed_md-test.dir/plumed_md_test.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/plumed/tests/plumed_md_test.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integration-test.dir/simstate.cpp.o -MF CMakeFiles/nblib-integration-test.dir/simstate.cpp.o.d -o CMakeFiles/nblib-integration-test.dir/simstate.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/simstate.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/gmxapi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/gmxapi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/listedtesthelpers.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/topology.cpp.o -MF CMakeFiles/nblib-setup-test.dir/topology.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/topology.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/topology.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o -MF CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o.d -o CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/cmdlinehelpmodule.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o -MF CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o.d -o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/cmdlinehelpwriter.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/virials.cpp.o -MF CMakeFiles/nblib-setup-test.dir/virials.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/virials.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/virials.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/util/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/util/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/util/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-util-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-util-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/DependInfo.cmake "--color="
@@ -112090,44 +112317,37 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/mdmodulesnotifier.cpp.o -MF CMakeFiles/mdrunutility-test.dir/mdmodulesnotifier.cpp.o.d -o CMakeFiles/mdrunutility-test.dir/mdmodulesnotifier.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/tests/mdmodulesnotifier.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/plumed/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/plumedTestUtils.cpp.o -MF CMakeFiles/plumed_md-test.dir/plumedTestUtils.cpp.o.d -o CMakeFiles/plumed_md-test.dir/plumedTestUtils.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/plumed/tests/plumedTestUtils.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o -MF CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o.d -o CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/tests/threadaffinity.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gmxapi-test.dir/link.d "CMakeFiles/gmxapi-test.dir/restraint.cpp.o" "CMakeFiles/gmxapi-test.dir/runner.cpp.o" "CMakeFiles/gmxapi-test.dir/status.cpp.o" "CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o" "CMakeFiles/gmxapi-test.dir/system.cpp.o" "CMakeFiles/gmxapi-test.dir/version.cpp.o" "CMakeFiles/gmxapi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o" ../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/gmxapi-test  ../../../../lib/libtestutils.a ../../../../lib/libgmxapi_d.so.0.4.0 ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 94%] Built target gmxapi-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/plumed/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/plumed_md-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/plumed_md-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/util/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-util-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o -MF CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o.d -o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/cmdlinehelpwriter.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integration-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-integration-test.dir/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-integration-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 [ 94%] Built target nblib-util-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/kernels.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/kernels.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/kernels.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/kernels.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/typetests.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/typetests.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/typetests.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/typetests.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/listedtesthelpers.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-integration-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi-test.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 [ 94%] Built target nblib-integration-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-setup-test.dir/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/conversions.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/conversions.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/conversions.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/conversions.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/plumed/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/plumedTestUtils.cpp.o -MF CMakeFiles/plumed_md-test.dir/plumedTestUtils.cpp.o.d -o CMakeFiles/plumed_md-test.dir/plumedTestUtils.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/plumed/tests/plumedTestUtils.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gmxapi-test.dir/link.d "CMakeFiles/gmxapi-test.dir/restraint.cpp.o" "CMakeFiles/gmxapi-test.dir/runner.cpp.o" "CMakeFiles/gmxapi-test.dir/status.cpp.o" "CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o" "CMakeFiles/gmxapi-test.dir/system.cpp.o" "CMakeFiles/gmxapi-test.dir/version.cpp.o" "CMakeFiles/gmxapi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o" ../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/gmxapi-test  ../../../../lib/libtestutils.a ../../../../lib/libgmxapi_d.so.0.4.0 ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 94%] Built target gmxapi-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o -MF CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o.d -o CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/cmdlinemodulemanagertest.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o -MF CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o.d -o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/cmdlineparser.cpp
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o -MF CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o.d -o CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/tests/threadaffinity_mpi.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o -MF CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o.d -o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/cmdlineprogramcontext.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrunutility-test.dir/link.d "CMakeFiles/mdrunutility-test.dir/mdmodulesnotifier.cpp.o" "CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o" "CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/mdrunutility-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 94%] Built target mdrunutility-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o -MF CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o.d -o CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/tests/threadaffinity.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/plumed/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/plumed_md-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/plumed_md-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/analysisdata/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/analysisdata/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/analysisdata/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/analysisdata.cpp.o -MF CMakeFiles/analysisdata-test.dir/analysisdata.cpp.o.d -o CMakeFiles/analysisdata-test.dir/analysisdata.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/analysisdata/tests/analysisdata.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/plumed_md-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o -MF CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o.d -o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/cmdlineprogramcontext.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-mpi-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/calculator.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/calculator.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/calculator.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/calculator.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrunutility-mpi-test.dir/link.d "CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o" "CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/mdrunutility-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 96%] Built target mdrunutility-mpi-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/analysisdata/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/arraydata.cpp.o -MF CMakeFiles/analysisdata-test.dir/arraydata.cpp.o.d -o CMakeFiles/analysisdata-test.dir/arraydata.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/analysisdata/tests/arraydata.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/conversions.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/conversions.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/conversions.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/conversions.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrunutility-test.dir/link.d "CMakeFiles/mdrunutility-test.dir/mdmodulesnotifier.cpp.o" "CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o" "CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/mdrunutility-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 96%] Built target mdrunutility-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/filenm.cpp.o -MF CMakeFiles/commandline-test.dir/filenm.cpp.o.d -o CMakeFiles/commandline-test.dir/filenm.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/filenm.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/plumed_md-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/analysisdata/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/average.cpp.o -MF CMakeFiles/analysisdata-test.dir/average.cpp.o.d -o CMakeFiles/analysisdata-test.dir/average.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/analysisdata/tests/average.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/plumed_md-test.dir/link.d "CMakeFiles/plumed_md-test.dir/plumed_md_test.cpp.o" "CMakeFiles/plumed_md-test.dir/plumedTestUtils.cpp.o" "CMakeFiles/plumed_md-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../../bin/plumed_md-test  ../../../../../lib/libtestutils.a ../../../../../lib/libmdrun_test_infrastructure.a -ldl ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgmock.so.1.13.0 ../../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 94%] Built target plumed_md-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/pargs.cpp.o -MF CMakeFiles/commandline-test.dir/pargs.cpp.o.d -o CMakeFiles/commandline-test.dir/pargs.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/pargs.cpp
+[ 96%] Built target plumed_md-test
 /usr/bin/make  -f src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/build.make src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/DependInfo.cmake "--color="
@@ -112149,24 +112380,22 @@
 /usr/bin/make  -f src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/build.make src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/moduletest.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/moduletest.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/moduletest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/moduletest.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-mpi-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrunutility-mpi-test.dir/link.d "CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o" "CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/mdrunutility-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 96%] Built target mdrunutility-mpi-test
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/shiftforces.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/shiftforces.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/shiftforces.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/shiftforces.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/transformations.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/transformations.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/transformations.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/transformations.cpp
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 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-setup-test.dir/link.d "CMakeFiles/nblib-setup-test.dir/box.cpp.o" "CMakeFiles/nblib-setup-test.dir/interactions.cpp.o" "CMakeFiles/nblib-setup-test.dir/particletype.cpp.o" "CMakeFiles/nblib-setup-test.dir/pbcholder.cpp.o" "CMakeFiles/nblib-setup-test.dir/molecules.cpp.o" "CMakeFiles/nblib-setup-test.dir/nbnxmsetup.cpp.o" "CMakeFiles/nblib-setup-test.dir/topology.cpp.o" "CMakeFiles/nblib-setup-test.dir/virials.cpp.o" "CMakeFiles/nblib-setup-test.dir/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../bin/nblib-setup-test  ../../../lib/libtestutils.a ../../../lib/libmdrun_test_infrastructure.a ../../../lib/libnblib_test_infrastructure.a ../../../lib/libnblib_gmx.so.0.1.0 ../../../lib/libtestutils.a ../../../lib/libgmock.so.1.13.0 ../../../lib/libgtest.so.1.13.0 ../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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 [ 97%] Built target nblib-setup-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/CMakeFiles/nblib-tests.dir/DependInfo.cmake "--color="
@@ -112176,33 +112405,30 @@
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 98%] Built target commandline-test
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/analysisdata/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/analysisdata-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/analysisdata-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/analysisdata-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/analysisdata-test.dir/link.d "CMakeFiles/analysisdata-test.dir/analysisdata.cpp.o" "CMakeFiles/analysisdata-test.dir/arraydata.cpp.o" "CMakeFiles/analysisdata-test.dir/average.cpp.o" "CMakeFiles/analysisdata-test.dir/histogram.cpp.o" "CMakeFiles/analysisdata-test.dir/lifetime.cpp.o" "CMakeFiles/analysisdata-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/analysisdata-test  ../../../../lib/libtestutils.a ../../../../lib/libanalysisdata-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 97%] Built target analysisdata-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/sasa.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/sasa.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/sasa.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/sasa.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/commandline-test.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+[ 98%] Built target commandline-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/surfacearea.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/surfacearea.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/surfacearea.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/surfacearea.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/analysisdata-test.dir/link.txt --verbose=1
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 98%] Built target analysisdata-test
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/basic-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/listed_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-listed-forces-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-listed-forces-test.dir/link.d "CMakeFiles/nblib-listed-forces-test.dir/bondtypes.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/gmxcalculator.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/helpers.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/kernels.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/typetests.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/calculator.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/conversions.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/shiftforces.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/transformations.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../../bin/nblib-listed-forces-test  ../../../../lib/libtestutils.a ../../../../lib/libnblib_test_infrastructure.a ../../../../lib/libnblib_gmx.so.0.1.0 ../../../../lib/libtestutils.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0 ../../../../lib/libgromacs_d.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
@@ -112277,7 +112503,7 @@
 1:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 1: starting mdrun 'Water and methane'
 1: 2 steps,      0.0 ps.
-1: Setting the LD random seed to 2146156403
+1: Setting the LD random seed to -272119041
 1: 
 1: Generated 331705 of the 331705 non-bonded parameter combinations
 1: 
@@ -112302,10 +112528,10 @@
 1: Writing final coordinates.
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.072        0.037      196.7
+1:        Time:        0.002        0.001      191.2
 1:                  (ns/day)    (hour/ns)
-1: Performance:       13.744        1.746
-1: [       OK ] GmxApiTest.ApiRunnerRestrainedMD (731 ms)
+1: Performance:      599.482        0.040
+1: [       OK ] GmxApiTest.ApiRunnerRestrainedMD (242 ms)
 1: [ RUN      ] GmxApiTest.RunnerBasicMD
 1: Generating 1-4 interactions: fudge = 0.5
 1: 
@@ -112337,7 +112563,7 @@
 1:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 1: starting mdrun 'Water and methane'
 1: 2 steps,      0.0 ps.
-1: Setting the LD random seed to -17891666
+1: Setting the LD random seed to 851427323
 1: 
 1: Generated 331705 of the 331705 non-bonded parameter combinations
 1: 
@@ -112362,10 +112588,10 @@
 1: Writing final coordinates.
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.085        0.043      199.7
+1:        Time:        0.001        0.001      187.9
 1:                  (ns/day)    (hour/ns)
-1: Performance:       11.869        2.022
-1: [       OK ] GmxApiTest.RunnerBasicMD (652 ms)
+1: Performance:      850.027        0.028
+1: [       OK ] GmxApiTest.RunnerBasicMD (233 ms)
 1: [ RUN      ] GmxApiTest.RunnerReinitialize
 1: Generating 1-4 interactions: fudge = 0.5
 1: 
@@ -112401,7 +112627,7 @@
 1: 
 1: Received the remote INT/TERM signal, stopping within 200 steps
 1: 
-1: Setting the LD random seed to -43025425
+1: Setting the LD random seed to -229580
 1: 
 1: Generated 331705 of the 331705 non-bonded parameter combinations
 1: 
@@ -112426,9 +112652,9 @@
 1: Writing final coordinates.
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.002        0.001      191.5
+1:        Time:        0.002        0.001      192.0
 1:                  (ns/day)    (hour/ns)
-1: Performance:     3747.747        0.006
+1: Performance:     3795.599        0.006
 1: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 1: Changing nstlist from 10 to 25, rlist from 1.062 to 1.197
 1: 
@@ -112446,10 +112672,10 @@
 1: Writing final coordinates.
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.020        0.010      198.9
+1:        Time:        0.002        0.001      193.4
 1:                  (ns/day)    (hour/ns)
-1: Performance:      349.402        0.069
-1: [       OK ] GmxApiTest.RunnerReinitialize (753 ms)
+1: Performance:     3467.934        0.007
+1: [       OK ] GmxApiTest.RunnerReinitialize (234 ms)
 1: [ RUN      ] GmxApiTest.RunnerChainedMD
 1: Generating 1-4 interactions: fudge = 0.5
 1: 
@@ -112481,7 +112707,7 @@
 1:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 1: starting mdrun 'Water and methane'
 1: 2 steps,      0.0 ps.
-1: Setting the LD random seed to -1367998466
+1: Setting the LD random seed to -138940421
 1: 
 1: Generated 331705 of the 331705 non-bonded parameter combinations
 1: 
@@ -112506,9 +112732,9 @@
 1: Writing final coordinates.
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.062        0.031      199.6
+1:        Time:        0.001        0.001      188.3
 1:                  (ns/day)    (hour/ns)
-1: Performance:       16.278        1.474
+1: Performance:      806.444        0.030
 1: trr version: GMX_trn_file (double precision)
 1: 
 1: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerChainedMD.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
@@ -112546,15 +112772,12 @@
 1: 
 1: Writing final coordinates.
 1: 
-1: NOTE: 13 % of the run time was spent in pair search,
-1:       you might want to increase nstlist (this has no effect on accuracy)
-1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.045        0.022      199.7
+1:        Time:        0.001        0.001      192.5
 1:                  (ns/day)    (hour/ns)
-1: Performance:       22.640        1.060
+1: Performance:      847.990        0.028
 1: 
-1: [       OK ] GmxApiTest.RunnerChainedMD (530 ms)
+1: [       OK ] GmxApiTest.RunnerChainedMD (231 ms)
 1: [ RUN      ] GmxApiTest.Status
 1: [       OK ] GmxApiTest.Status (0 ms)
 1: [ RUN      ] GmxApiTest.ApiRunnerStopSignalClient
@@ -112588,7 +112811,7 @@
 1:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 1: starting mdrun 'Water and methane'
 1: 4 steps,      0.0 ps.
-1: Setting the LD random seed to -19409410
+1: Setting the LD random seed to -1359004741
 1: 
 1: Generated 331705 of the 331705 non-bonded parameter combinations
 1: 
@@ -112612,13 +112835,13 @@
 1: 
 1: Writing final coordinates.
 1: 
-1: NOTE: 35 % of the run time was spent in pair search,
+1: NOTE: 11 % of the run time was spent in pair search,
 1:       you might want to increase nstlist (this has no effect on accuracy)
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.070        0.035      199.7
+1:        Time:        0.001        0.001      189.4
 1:                  (ns/day)    (hour/ns)
-1: Performance:       24.051        0.998
+1: Performance:     1183.593        0.020
 1: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 1: Overriding nsteps with value passed on the command line: 4 steps, 0.00781 ps
 1: Changing nstlist from 10 to 1, rlist from 1.062 to 1
@@ -112635,14 +112858,11 @@
 1: starting mdrun 'Water and methane'
 1: 4 steps,      0.0 ps.
 1: 
-1: NOTE: 31 % of the run time was spent in pair search,
-1:       you might want to increase nstlist (this has no effect on accuracy)
-1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.031        0.016      199.4
+1:        Time:        0.001        0.001      187.0
 1:                  (ns/day)    (hour/ns)
-1: Performance:       21.385        1.122
-1: [       OK ] GmxApiTest.ApiRunnerStopSignalClient (389 ms)
+1: Performance:      584.708        0.041
+1: [       OK ] GmxApiTest.ApiRunnerStopSignalClient (243 ms)
 1: [ RUN      ] GmxApiTest.SystemConstruction
 1: Generating 1-4 interactions: fudge = 0.5
 1: 
@@ -112661,7 +112881,7 @@
 1: 
 1: 
 1: There were 2 NOTEs
-1: Setting the LD random seed to -136380595
+1: Setting the LD random seed to 2045496700
 1: 
 1: Generated 331705 of the 331705 non-bonded parameter combinations
 1: 
@@ -112682,17 +112902,17 @@
 1: Note that mdrun will redetermine rlist based on the actual pair-list setup
 1: 
 1: This run will generate roughly 0 Mb of data
-1: [       OK ] GmxApiTest.SystemConstruction (459 ms)
+1: [       OK ] GmxApiTest.SystemConstruction (223 ms)
 1: [ RUN      ] GmxApiTest.SaneVersionComparisons
 1: [       OK ] GmxApiTest.SaneVersionComparisons (0 ms)
 1: [ RUN      ] GmxApiTest.VersionNamed0_1_Features
 1: [       OK ] GmxApiTest.VersionNamed0_1_Features (0 ms)
-1: [----------] 9 tests from GmxApiTest (3523 ms total)
+1: [----------] 9 tests from GmxApiTest (1409 ms total)
 1: 
 1: [----------] Global test environment tear-down
-1: [==========] 9 tests from 1 test suite ran. (3551 ms total)
+1: [==========] 9 tests from 1 test suite ran. (1422 ms total)
 1: [  PASSED  ] 9 tests.
- 1/92 Test  #1: GmxapiExternalInterfaceTests ..............   Passed    3.61 sec
+ 1/92 Test  #1: GmxapiExternalInterfaceTests ..............   Passed    1.46 sec
 test 2
       Start  2: GmxapiInternalInterfaceTests
 
@@ -112720,7 +112940,7 @@
 2: 
 2: 
 2: There were 2 NOTEs
-2: Setting the LD random seed to -8740
+2: Setting the LD random seed to -1409826979
 2: 
 2: Generated 331705 of the 331705 non-bonded parameter combinations
 2: 
@@ -112741,7 +112961,7 @@
 2: Note that mdrun will redetermine rlist based on the actual pair-list setup
 2: 
 2: This run will generate roughly 0 Mb of data
-2: [       OK ] GmxApiTest.BuildApiWorkflowImpl (761 ms)
+2: [       OK ] GmxApiTest.BuildApiWorkflowImpl (213 ms)
 2: [ RUN      ] GmxApiTest.CreateApiWorkflow
 2: Generating 1-4 interactions: fudge = 0.5
 2: 
@@ -112760,7 +112980,7 @@
 2: 
 2: 
 2: There were 2 NOTEs
-2: Setting the LD random seed to 939523574
+2: Setting the LD random seed to 1778237151
 2: 
 2: Generated 331705 of the 331705 non-bonded parameter combinations
 2: 
@@ -112781,13 +113001,13 @@
 2: Note that mdrun will redetermine rlist based on the actual pair-list setup
 2: 
 2: This run will generate roughly 0 Mb of data
-2: [       OK ] GmxApiTest.CreateApiWorkflow (561 ms)
-2: [----------] 2 tests from GmxApiTest (1327 ms total)
+2: [       OK ] GmxApiTest.CreateApiWorkflow (207 ms)
+2: [----------] 2 tests from GmxApiTest (421 ms total)
 2: 
 2: [----------] Global test environment tear-down
-2: [==========] 2 tests from 1 test suite ran. (1339 ms total)
+2: [==========] 2 tests from 1 test suite ran. (428 ms total)
 2: [  PASSED  ] 2 tests.
- 2/92 Test  #2: GmxapiInternalInterfaceTests ..............   Passed    1.37 sec
+ 2/92 Test  #2: GmxapiInternalInterfaceTests ..............   Passed    0.44 sec
 test 3
       Start  3: NbLibListedForcesTests
 
@@ -112810,10 +113030,10 @@
 3: [ RUN      ] NBlibTest.GmxToNblibConversionAllTypes
 3: [       OK ] NBlibTest.GmxToNblibConversionAllTypes (0 ms)
 3: [ RUN      ] NBlibTest.EndToEndListedComparison
-3: [       OK ] NBlibTest.EndToEndListedComparison (1 ms)
+3: [       OK ] NBlibTest.EndToEndListedComparison (0 ms)
 3: [ RUN      ] NBlibTest.shiftForcesAreCorrect
-3: [       OK ] NBlibTest.shiftForcesAreCorrect (21 ms)
-3: [----------] 8 tests from NBlibTest (25 ms total)
+3: [       OK ] NBlibTest.shiftForcesAreCorrect (12 ms)
+3: [----------] 8 tests from NBlibTest (13 ms total)
 3: 
 3: [----------] 1 test from Kernels
 3: [ RUN      ] Kernels.HarmonicScalarKernelCanCompute
@@ -112840,7 +113060,7 @@
 3: [       OK ] ThreeCenter.ListedForcesQuarticAngleTest (0 ms)
 3: [ RUN      ] ThreeCenter.ListedForcesRestrictedAngleTest
 3: [       OK ] ThreeCenter.ListedForcesRestrictedAngleTest (0 ms)
-3: [----------] 7 tests from ThreeCenter (3 ms total)
+3: [----------] 7 tests from ThreeCenter (0 ms total)
 3: 
 3: [----------] 5 tests from TwoCenter
 3: [ RUN      ] TwoCenter.ListedForcesHarmonicBondTest
@@ -112853,7 +113073,7 @@
 3: [       OK ] TwoCenter.ListedForcesMorseBondTest (0 ms)
 3: [ RUN      ] TwoCenter.ListedForcesFeneBondTest
 3: [       OK ] TwoCenter.ListedForcesFeneBondTest (0 ms)
-3: [----------] 5 tests from TwoCenter (2 ms total)
+3: [----------] 5 tests from TwoCenter (0 ms total)
 3: 
 3: [----------] 5 tests from ListedExampleData
 3: [ RUN      ] ListedExampleData.ComputeHarmonicBondForces
@@ -112866,12 +113086,12 @@
 3: [       OK ] ListedExampleData.CanReduceForces (0 ms)
 3: [ RUN      ] ListedExampleData.CanReduceEnergies
 3: [       OK ] ListedExampleData.CanReduceEnergies (0 ms)
-3: [----------] 5 tests from ListedExampleData (1 ms total)
+3: [----------] 5 tests from ListedExampleData (0 ms total)
 3: 
 3: [----------] 1 test from LinearChainDataFixture
 3: [ RUN      ] LinearChainDataFixture.Multithreading
-3: [       OK ] LinearChainDataFixture.Multithreading (16 ms)
-3: [----------] 1 test from LinearChainDataFixture (16 ms total)
+3: [       OK ] LinearChainDataFixture.Multithreading (1 ms)
+3: [----------] 1 test from LinearChainDataFixture (1 ms total)
 3: 
 3: [----------] 2 tests from ListedShims
 3: [ RUN      ] ListedShims.ParameterConversion
@@ -112951,9 +113171,9 @@
 3: [----------] 1 test from ListedTransformations (0 ms total)
 3: 
 3: [----------] Global test environment tear-down
-3: [==========] 44 tests from 22 test suites ran. (53 ms total)
+3: [==========] 44 tests from 22 test suites ran. (16 ms total)
 3: [  PASSED  ] 44 tests.
- 3/92 Test  #3: NbLibListedForcesTests ....................   Passed    0.08 sec
+ 3/92 Test  #3: NbLibListedForcesTests ....................   Passed    0.03 sec
 test 4
       Start  4: NbLibSamplesTestArgon
 
@@ -112964,7 +113184,7 @@
 4:   final forces on particle 0: x -0.412988 y -1.098243 z -0.113189
 4: initial position of particle 0: x 0.794000 y 1.439000 z 0.610000
 4:   final position of particle 0: x 0.789162 y 1.271508 z 0.819867
- 4/92 Test  #4: NbLibSamplesTestArgon .....................   Passed    0.02 sec
+ 4/92 Test  #4: NbLibSamplesTestArgon .....................   Passed    0.01 sec
 test 5
       Start  5: NbLibSamplesTestMethaneWater
 
@@ -112973,7 +113193,7 @@
 5: Test timeout computed to be: 1500
 5: initial position of particle 0: x 0.005000 y 0.600000 z 0.244000
 5:   final position of particle 9: x 77.358372 y 5.325207 z -80.600064
- 5/92 Test  #5: NbLibSamplesTestMethaneWater ..............   Passed    0.04 sec
+ 5/92 Test  #5: NbLibSamplesTestMethaneWater ..............   Passed    0.01 sec
 test 6
       Start  6: NbLibUtilTests
 
@@ -112991,14 +113211,14 @@
 6: [       OK ] NBlibTest.checkNumericValuesHasInf (0 ms)
 6: [ RUN      ] NBlibTest.GeneratedVelocitiesAreCorrect
 6: Velocities were taken from a Maxwell distribution at 300 K
-6: [       OK ] NBlibTest.GeneratedVelocitiesAreCorrect (1 ms)
+6: [       OK ] NBlibTest.GeneratedVelocitiesAreCorrect (0 ms)
 6: [ RUN      ] NBlibTest.generateVelocitySize
 6: Velocities were taken from a Maxwell distribution at 300 K
 6: [       OK ] NBlibTest.generateVelocitySize (0 ms)
 6: [ RUN      ] NBlibTest.generateVelocityCheckNumbers
 6: Velocities were taken from a Maxwell distribution at 300 K
 6: [       OK ] NBlibTest.generateVelocityCheckNumbers (0 ms)
-6: [----------] 6 tests from NBlibTest (2 ms total)
+6: [----------] 6 tests from NBlibTest (0 ms total)
 6: 
 6: [----------] 10 tests from NblibTraitsUtils
 6: [ RUN      ] NblibTraitsUtils.FuseTwo
@@ -113024,9 +113244,9 @@
 6: [----------] 10 tests from NblibTraitsUtils (0 ms total)
 6: 
 6: [----------] Global test environment tear-down
-6: [==========] 16 tests from 2 test suites ran. (2 ms total)
+6: [==========] 16 tests from 2 test suites ran. (0 ms total)
 6: [  PASSED  ] 16 tests.
- 6/92 Test  #6: NbLibUtilTests ............................   Passed    0.02 sec
+ 6/92 Test  #6: NbLibUtilTests ............................   Passed    0.01 sec
 test 7
       Start  7: NbLibSetupTests
 
@@ -113120,7 +113340,7 @@
 7: [       OK ] NBlibTest.TopologyInvalidParticleInInteractionThrows (0 ms)
 7: [ RUN      ] NBlibTest.toGmxExclusionBlockWorks
 7: [       OK ] NBlibTest.toGmxExclusionBlockWorks (0 ms)
-7: [----------] 41 tests from NBlibTest (4 ms total)
+7: [----------] 41 tests from NBlibTest (1 ms total)
 7: 
 7: [----------] 15 tests from NbnxmSetupTest
 7: [ RUN      ] NbnxmSetupTest.findNumEnergyGroups
@@ -113161,9 +113381,9 @@
 7: [----------] 1 test from VirialsTest (0 ms total)
 7: 
 7: [----------] Global test environment tear-down
-7: [==========] 57 tests from 3 test suites ran. (7 ms total)
+7: [==========] 57 tests from 3 test suites ran. (1 ms total)
 7: [  PASSED  ] 57 tests.
- 7/92 Test  #7: NbLibSetupTests ...........................   Passed    0.04 sec
+ 7/92 Test  #7: NbLibSetupTests ...........................   Passed    0.02 sec
 test 8
       Start  8: NbLibTprTests
 
@@ -113208,7 +113428,7 @@
 8: Note that mdrun will redetermine rlist based on the actual pair-list setup
 8: 
 8: This run will generate roughly 0 Mb of data
-8: [       OK ] TprReaderTest.SimDBTprIsCreated (17 ms)
+8: [       OK ] TprReaderTest.SimDBTprIsCreated (5 ms)
 8: [ RUN      ] TprReaderTest.Spc2Reads
 8: 
 8: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary/TprReaderTest_Spc2Reads_input.mdp]:
@@ -113254,7 +113474,7 @@
 8: Note that mdrun will redetermine rlist based on the actual pair-list setup
 8: 
 8: This run will generate roughly 0 Mb of data
-8: [       OK ] TprReaderTest.Spc2Reads (19 ms)
+8: [       OK ] TprReaderTest.Spc2Reads (4 ms)
 8: [ RUN      ] TprReaderTest.ArgonImportedDataIsCorrect
 8: 
 8: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary/TprReaderTest_ArgonImportedDataIsCorrect_input.mdp]:
@@ -113290,7 +113510,7 @@
 8: Note that mdrun will redetermine rlist based on the actual pair-list setup
 8: 
 8: This run will generate roughly 0 Mb of data
-8: [       OK ] TprReaderTest.ArgonImportedDataIsCorrect (12 ms)
+8: [       OK ] TprReaderTest.ArgonImportedDataIsCorrect (3 ms)
 8: [ RUN      ] TprReaderTest.FCfromTprDataWorks
 8: 
 8: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/tests/Testing/Temporary/TprReaderTest_FCfromTprDataWorks_input.mdp]:
@@ -113326,13 +113546,13 @@
 8: Note that mdrun will redetermine rlist based on the actual pair-list setup
 8: 
 8: This run will generate roughly 0 Mb of data
-8: [       OK ] TprReaderTest.FCfromTprDataWorks (10 ms)
-8: [----------] 4 tests from TprReaderTest (63 ms total)
+8: [       OK ] TprReaderTest.FCfromTprDataWorks (4 ms)
+8: [----------] 4 tests from TprReaderTest (17 ms total)
 8: 
 8: [----------] Global test environment tear-down
-8: [==========] 4 tests from 1 test suite ran. (76 ms total)
+8: [==========] 4 tests from 1 test suite ran. (24 ms total)
 8: [  PASSED  ] 4 tests.
- 8/92 Test  #8: NbLibTprTests .............................   Passed    0.10 sec
+ 8/92 Test  #8: NbLibTprTests .............................   Passed    0.04 sec
 test 9
       Start  9: NbLibIntegrationTests
 
@@ -113343,7 +113563,7 @@
 9: [----------] Global test environment set-up.
 9: [----------] 20 tests from NBlibTest
 9: [ RUN      ] NBlibTest.GmxForceCalculatorCanCompute
-9: [       OK ] NBlibTest.GmxForceCalculatorCanCompute (1 ms)
+9: [       OK ] NBlibTest.GmxForceCalculatorCanCompute (0 ms)
 9: [ RUN      ] NBlibTest.ArgonVirialsAreCorrect
 9: [       OK ] NBlibTest.ArgonVirialsAreCorrect (0 ms)
 9: [ RUN      ] NBlibTest.ArgonEnergiesAreCorrect
@@ -113382,12 +113602,12 @@
 9: [       OK ] NBlibTest.SimulationStateHasCorrectCoordinates (0 ms)
 9: [ RUN      ] NBlibTest.SimulationStateHasCorrectVelocities
 9: [       OK ] NBlibTest.SimulationStateHasCorrectVelocities (0 ms)
-9: [----------] 20 tests from NBlibTest (9 ms total)
+9: [----------] 20 tests from NBlibTest (3 ms total)
 9: 
 9: [----------] Global test environment tear-down
-9: [==========] 20 tests from 1 test suite ran. (11 ms total)
+9: [==========] 20 tests from 1 test suite ran. (3 ms total)
 9: [  PASSED  ] 20 tests.
- 9/92 Test  #9: NbLibIntegrationTests .....................   Passed    0.03 sec
+ 9/92 Test  #9: NbLibIntegrationTests .....................   Passed    0.02 sec
 test 10
       Start 10: NbLibIntegratorTests
 
@@ -113402,9 +113622,9 @@
 10: [----------] 1 test from NBlibTest (0 ms total)
 10: 
 10: [----------] Global test environment tear-down
-10: [==========] 1 test from 1 test suite ran. (2 ms total)
+10: [==========] 1 test from 1 test suite ran. (0 ms total)
 10: [  PASSED  ] 1 test.
-10/92 Test #10: NbLibIntegratorTests ......................   Passed    0.02 sec
+10/92 Test #10: NbLibIntegratorTests ......................   Passed    0.01 sec
 test 11
       Start 11: TestUtilsUnitTests
 
@@ -113434,7 +113654,7 @@
 11: [       OK ] InteractiveTestHelperTest.DetectsMissingInput (0 ms)
 11: [ RUN      ] InteractiveTestHelperTest.DetectsExtraInput
 11: [       OK ] InteractiveTestHelperTest.DetectsExtraInput (0 ms)
-11: [----------] 10 tests from InteractiveTestHelperTest (3 ms total)
+11: [----------] 10 tests from InteractiveTestHelperTest (1 ms total)
 11: 
 11: [----------] 10 tests from NameOfTestFromTupleTest
 11: [ RUN      ] NameOfTestFromTupleTest.WorksWithEmptyTuple
@@ -113514,7 +113734,7 @@
 11: [ RUN      ] ReferenceDataTest.HandlesAnysWithIncorrectType
 11: [       OK ] ReferenceDataTest.HandlesAnysWithIncorrectType (0 ms)
 11: [ RUN      ] ReferenceDataTest.HandlesMissingReferenceDataFile
-11: [       OK ] ReferenceDataTest.HandlesMissingReferenceDataFile (2 ms)
+11: [       OK ] ReferenceDataTest.HandlesMissingReferenceDataFile (0 ms)
 11: [ RUN      ] ReferenceDataTest.HandlesSpecialCharactersInStrings
 11: [       OK ] ReferenceDataTest.HandlesSpecialCharactersInStrings (0 ms)
 11: [ RUN      ] ReferenceDataTest.HandlesStringsWithTextAndWhitespace
@@ -113543,7 +113763,7 @@
 11: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithCompoundChanges (0 ms)
 11: [ RUN      ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries
 11: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries (0 ms)
-11: [----------] 37 tests from ReferenceDataTest (7 ms total)
+11: [----------] 37 tests from ReferenceDataTest (2 ms total)
 11: 
 11: [----------] 7 tests from FloatingPointDifferenceTest
 11: [ RUN      ] FloatingPointDifferenceTest.HandlesEqualValues
@@ -113582,12 +113802,12 @@
 11: [       OK ] XvgTests.CheckExtra (0 ms)
 11: [ RUN      ] XvgTests.ReadIncorrect
 11: [       OK ] XvgTests.ReadIncorrect (0 ms)
-11: [----------] 4 tests from XvgTests (0 ms total)
+11: [----------] 4 tests from XvgTests (1 ms total)
 11: 
 11: [----------] Global test environment tear-down
-11: [==========] 75 tests from 7 test suites ran. (15 ms total)
+11: [==========] 75 tests from 7 test suites ran. (6 ms total)
 11: [  PASSED  ] 75 tests.
-11/92 Test #11: TestUtilsUnitTests ........................   Passed    0.04 sec
+11/92 Test #11: TestUtilsUnitTests ........................   Passed    0.02 sec
 test 12
       Start 12: TestUtilsMpiUnitTests
 
@@ -113598,13 +113818,13 @@
 12: [----------] Global test environment set-up.
 12: [----------] 1 test from MpiSelfTest
 12: [ RUN      ] MpiSelfTest.Runs
-12: [       OK ] MpiSelfTest.Runs (4 ms)
-12: [----------] 1 test from MpiSelfTest (4 ms total)
+12: [       OK ] MpiSelfTest.Runs (0 ms)
+12: [----------] 1 test from MpiSelfTest (0 ms total)
 12: 
 12: [----------] Global test environment tear-down
-12: [==========] 1 test from 1 test suite ran. (5 ms total)
+12: [==========] 1 test from 1 test suite ran. (0 ms total)
 12: [  PASSED  ] 1 test.
-12/92 Test #12: TestUtilsMpiUnitTests .....................   Passed    0.03 sec
+12/92 Test #12: TestUtilsMpiUnitTests .....................   Passed    0.01 sec
 test 13
       Start 13: UtilityUnitTests
 
@@ -114268,14 +114488,14 @@
 13: 
 13: [----------] 4 tests from KeyValueTreeSerializerTest
 13: [ RUN      ] KeyValueTreeSerializerTest.EmptyTree
-13: [       OK ] KeyValueTreeSerializerTest.EmptyTree (3 ms)
+13: [       OK ] KeyValueTreeSerializerTest.EmptyTree (0 ms)
 13: [ RUN      ] KeyValueTreeSerializerTest.SimpleObject
 13: [       OK ] KeyValueTreeSerializerTest.SimpleObject (0 ms)
 13: [ RUN      ] KeyValueTreeSerializerTest.ObjectWithArrays
-13: [       OK ] KeyValueTreeSerializerTest.ObjectWithArrays (6 ms)
+13: [       OK ] KeyValueTreeSerializerTest.ObjectWithArrays (0 ms)
 13: [ RUN      ] KeyValueTreeSerializerTest.ObjectWithObjects
 13: [       OK ] KeyValueTreeSerializerTest.ObjectWithObjects (0 ms)
-13: [----------] 4 tests from KeyValueTreeSerializerTest (10 ms total)
+13: [----------] 4 tests from KeyValueTreeSerializerTest (0 ms total)
 13: 
 13: [----------] 7 tests from TreeValueTransformTest
 13: [ RUN      ] TreeValueTransformTest.SimpleTransforms
@@ -114292,7 +114512,7 @@
 13: [       OK ] TreeValueTransformTest.ScopedTransformRules (0 ms)
 13: [ RUN      ] TreeValueTransformTest.CanAssignUserMultiValue
 13: [       OK ] TreeValueTransformTest.CanAssignUserMultiValue (0 ms)
-13: [----------] 7 tests from TreeValueTransformTest (2 ms total)
+13: [----------] 7 tests from TreeValueTransformTest (0 ms total)
 13: 
 13: [----------] 1 test from TreeValueTransformErrorTest
 13: [ RUN      ] TreeValueTransformErrorTest.ConversionError
@@ -114335,7 +114555,7 @@
 13: [       OK ] LoggerTest.LogsToMultipleFiles (0 ms)
 13: [ RUN      ] LoggerTest.LogsToStreamAndFile
 13: [       OK ] LoggerTest.LogsToStreamAndFile (0 ms)
-13: [----------] 7 tests from LoggerTest (3 ms total)
+13: [----------] 7 tests from LoggerTest (0 ms total)
 13: 
 13: [----------] 7 tests from MessageStringCollectorTest
 13: [ RUN      ] MessageStringCollectorTest.CanAddAndClearMessagesNoContext
@@ -114386,7 +114606,7 @@
 13: [       OK ] ScopeGuardTest.ScopeGuardCanFreePointers (0 ms)
 13: [ RUN      ] ScopeGuardTest.ScopeGuardsCanBeCreatedByHelperFunctions
 13: [       OK ] ScopeGuardTest.ScopeGuardsCanBeCreatedByHelperFunctions (0 ms)
-13: [----------] 3 tests from ScopeGuardTest (5 ms total)
+13: [----------] 3 tests from ScopeGuardTest (0 ms total)
 13: 
 13: [----------] 7 tests from StringConvert
 13: [ RUN      ] StringConvert.NoResultFromEptyString
@@ -114501,7 +114721,7 @@
 13: [       OK ] TextLineWrapperTest.HandlesContinuationCharacter (0 ms)
 13: [ RUN      ] TextLineWrapperTest.WrapsCorrectlyWithExtraWhitespace
 13: [       OK ] TextLineWrapperTest.WrapsCorrectlyWithExtraWhitespace (0 ms)
-13: [----------] 10 tests from TextLineWrapperTest (2 ms total)
+13: [----------] 10 tests from TextLineWrapperTest (0 ms total)
 13: 
 13: [----------] 1 test from CompileTimeStringJoin
 13: [ RUN      ] CompileTimeStringJoin.Works
@@ -114530,7 +114750,7 @@
 13: [       OK ] TextWriterTest.TracksNewlines (0 ms)
 13: [ RUN      ] TextWriterTest.PreservesTrailingWhitespace
 13: [       OK ] TextWriterTest.PreservesTrailingWhitespace (0 ms)
-13: [----------] 6 tests from TextWriterTest (1 ms total)
+13: [----------] 6 tests from TextWriterTest (0 ms total)
 13: 
 13: [----------] 1 test from TypeTraitsTest
 13: [ RUN      ] TypeTraitsTest.IsIntegralConstant
@@ -114629,7 +114849,7 @@
 13: [       OK ] WithInputPaths/PathSearchTest.SearchOperationsWork/9 (0 ms)
 13: [ RUN      ] WithInputPaths/PathSearchTest.SearchOperationsWork/10
 13: [       OK ] WithInputPaths/PathSearchTest.SearchOperationsWork/10 (0 ms)
-13: [----------] 11 tests from WithInputPaths/PathSearchTest (7 ms total)
+13: [----------] 11 tests from WithInputPaths/PathSearchTest (0 ms total)
 13: 
 13: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest
 13: [ RUN      ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/0
@@ -114649,12 +114869,12 @@
 13: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest (0 ms total)
 13: 
 13: [----------] Global test environment tear-down
-13: [==========] 420 tests from 65 test suites ran. (41 ms total)
+13: [==========] 420 tests from 65 test suites ran. (5 ms total)
 13: [  PASSED  ] 420 tests.
 13: 
 13:   YOU HAVE 1 DISABLED TEST
 13: 
-13/92 Test #13: UtilityUnitTests ..........................   Passed    0.08 sec
+13/92 Test #13: UtilityUnitTests ..........................   Passed    0.03 sec
 test 14
       Start 14: UtilityMpiUnitTests
 
@@ -114665,15 +114885,15 @@
 14: [----------] Global test environment set-up.
 14: [----------] 2 tests from PhysicalNodeCommunicatorTest
 14: [ RUN      ] PhysicalNodeCommunicatorTest.CanConstruct
-14: [       OK ] PhysicalNodeCommunicatorTest.CanConstruct (4 ms)
+14: [       OK ] PhysicalNodeCommunicatorTest.CanConstruct (0 ms)
 14: [ RUN      ] PhysicalNodeCommunicatorTest.CanCallBarrier
-14: [       OK ] PhysicalNodeCommunicatorTest.CanCallBarrier (4 ms)
-14: [----------] 2 tests from PhysicalNodeCommunicatorTest (9 ms total)
+14: [       OK ] PhysicalNodeCommunicatorTest.CanCallBarrier (0 ms)
+14: [----------] 2 tests from PhysicalNodeCommunicatorTest (0 ms total)
 14: 
 14: [----------] Global test environment tear-down
-14: [==========] 2 tests from 1 test suite ran. (21 ms total)
+14: [==========] 2 tests from 1 test suite ran. (0 ms total)
 14: [  PASSED  ] 2 tests.
-14/92 Test #14: UtilityMpiUnitTests .......................   Passed    0.04 sec
+14/92 Test #14: UtilityMpiUnitTests .......................   Passed    0.01 sec
 test 15
       Start 15: GmxlibTests
 
@@ -114696,7 +114916,7 @@
 15: [ RUN      ] NBInteraction/NonbondedFepTest.testKernel/5
 15: [       OK ] NBInteraction/NonbondedFepTest.testKernel/5 (0 ms)
 15: [ RUN      ] NBInteraction/NonbondedFepTest.testKernel/6
-15: [       OK ] NBInteraction/NonbondedFepTest.testKernel/6 (4 ms)
+15: [       OK ] NBInteraction/NonbondedFepTest.testKernel/6 (0 ms)
 15: [ RUN      ] NBInteraction/NonbondedFepTest.testKernel/7
 15: [       OK ] NBInteraction/NonbondedFepTest.testKernel/7 (0 ms)
 15: [ RUN      ] NBInteraction/NonbondedFepTest.testKernel/8
@@ -114827,7 +115047,7 @@
 15: [       OK ] NBInteraction/NonbondedFepTest.testKernel/70 (0 ms)
 15: [ RUN      ] NBInteraction/NonbondedFepTest.testKernel/71
 15: [       OK ] NBInteraction/NonbondedFepTest.testKernel/71 (0 ms)
-15: [----------] 72 tests from NBInteraction/NonbondedFepTest (59 ms total)
+15: [----------] 72 tests from NBInteraction/NonbondedFepTest (5 ms total)
 15: 
 15: [----------] 6 tests from NBInteractionShortDistance/NonbondedFepTest
 15: [ RUN      ] NBInteractionShortDistance/NonbondedFepTest.testKernel/0
@@ -114842,12 +115062,12 @@
 15: [       OK ] NBInteractionShortDistance/NonbondedFepTest.testKernel/4 (0 ms)
 15: [ RUN      ] NBInteractionShortDistance/NonbondedFepTest.testKernel/5
 15: [       OK ] NBInteractionShortDistance/NonbondedFepTest.testKernel/5 (0 ms)
-15: [----------] 6 tests from NBInteractionShortDistance/NonbondedFepTest (4 ms total)
+15: [----------] 6 tests from NBInteractionShortDistance/NonbondedFepTest (0 ms total)
 15: 
 15: [----------] Global test environment tear-down
-15: [==========] 78 tests from 2 test suites ran. (70 ms total)
+15: [==========] 78 tests from 2 test suites ran. (6 ms total)
 15: [  PASSED  ] 78 tests.
-15/92 Test #15: GmxlibTests ...............................   Passed    0.10 sec
+15/92 Test #15: GmxlibTests ...............................   Passed    0.02 sec
 test 16
       Start 16: MdlibUnitTest
 
@@ -114895,14 +115115,14 @@
 16: [       OK ] CalcvirTest.CanCalculateVirialAtomsOutOfBoxScrewZ (0 ms)
 16: [ RUN      ] CalcvirTest.CanCalculateVirialAtomsOutOfBoxScrewXYZ
 16: [       OK ] CalcvirTest.CanCalculateVirialAtomsOutOfBoxScrewXYZ (0 ms)
-16: [----------] 6 tests from CalcvirTest (6 ms total)
+16: [----------] 6 tests from CalcvirTest (0 ms total)
 16: 
 16: [----------] 2 tests from PrEbinTest
 16: [ RUN      ] PrEbinTest.HandlesAverages
 16: [       OK ] PrEbinTest.HandlesAverages (0 ms)
 16: [ RUN      ] PrEbinTest.HandlesEmptyAverages
 16: [       OK ] PrEbinTest.HandlesEmptyAverages (0 ms)
-16: [----------] 2 tests from PrEbinTest (1 ms total)
+16: [----------] 2 tests from PrEbinTest (0 ms total)
 16: 
 16: [----------] 3 tests from EnergyDriftTracker
 16: [ RUN      ] EnergyDriftTracker.emptyWorks
@@ -114944,7 +115164,7 @@
 16: [       OK ] SignalTest.NonLocalSignalPropagatesWhenInterSimSignalTakesPlace (0 ms)
 16: [ RUN      ] SignalTest.NonLocalSignalPropagatesWhenBothTakePlace
 16: [       OK ] SignalTest.NonLocalSignalPropagatesWhenBothTakePlace (0 ms)
-16: [----------] 7 tests from SignalTest (5 ms total)
+16: [----------] 7 tests from SignalTest (0 ms total)
 16: 
 16: [----------] 13 tests from UpdateGroupsTest
 16: [ RUN      ] UpdateGroupsTest.WithEthaneUA
@@ -114977,8 +115197,8 @@
 16: 
 16: [----------] 1 test from UpdateGroupsCog
 16: [ RUN      ] UpdateGroupsCog.ComputesCogs
-16: [       OK ] UpdateGroupsCog.ComputesCogs (1 ms)
-16: [----------] 1 test from UpdateGroupsCog (1 ms total)
+16: [       OK ] UpdateGroupsCog.ComputesCogs (0 ms)
+16: [----------] 1 test from UpdateGroupsCog (0 ms total)
 16: 
 16: [----------] 2 tests from WholeMoleculeTransform
 16: [ RUN      ] WholeMoleculeTransform.MakesMoleculesWhole
@@ -115013,9 +115233,9 @@
 16: [ RUN      ] WithParameters/ConstraintsTest.SatisfiesConstraints/11
 16: [       OK ] WithParameters/ConstraintsTest.SatisfiesConstraints/11 (0 ms)
 16: [ RUN      ] WithParameters/ConstraintsTest.SatisfiesConstraints/12
-16: [       OK ] WithParameters/ConstraintsTest.SatisfiesConstraints/12 (11 ms)
+16: [       OK ] WithParameters/ConstraintsTest.SatisfiesConstraints/12 (5 ms)
 16: [ RUN      ] WithParameters/ConstraintsTest.SatisfiesConstraints/13
-16: [       OK ] WithParameters/ConstraintsTest.SatisfiesConstraints/13 (14 ms)
+16: [       OK ] WithParameters/ConstraintsTest.SatisfiesConstraints/13 (5 ms)
 16: [ RUN      ] WithParameters/ConstraintsTest.TriangleDetectionWorks/0
 16: [       OK ] WithParameters/ConstraintsTest.TriangleDetectionWorks/0 (0 ms)
 16: [ RUN      ] WithParameters/ConstraintsTest.TriangleDetectionWorks/1
@@ -115044,42 +115264,42 @@
 16: [       OK ] WithParameters/ConstraintsTest.TriangleDetectionWorks/12 (0 ms)
 16: [ RUN      ] WithParameters/ConstraintsTest.TriangleDetectionWorks/13
 16: [       OK ] WithParameters/ConstraintsTest.TriangleDetectionWorks/13 (0 ms)
-16: [----------] 28 tests from WithParameters/ConstraintsTest (51 ms total)
+16: [----------] 28 tests from WithParameters/ConstraintsTest (14 ms total)
 16: 
 16: [----------] 11 tests from WithParameters/EnergyOutputTest
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/0
 16: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_0.edr as double precision energy file
-16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/0 (3 ms)
+16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/0 (0 ms)
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/1
 16: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_1.edr as double precision energy file
-16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/1 (2 ms)
+16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/1 (0 ms)
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/2
 16: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_2.edr as double precision energy file
-16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/2 (3 ms)
+16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/2 (0 ms)
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/3
-16: [       OK ] WithParameters/EnergyOutputTest.CheckOutput/3 (3 ms)
+16: [       OK ] WithParameters/EnergyOutputTest.CheckOutput/3 (0 ms)
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/4
 16: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_4.edr as double precision energy file
-16: 
Reading energy frame      0 time   10.100         
Reading energy frame      1 time   27.500         
Reading energy frame      2 time   44.900         
Reading energy frame      3 time   62.300         
Reading energy frame      4 time   79.700         
Reading energy frame      5 time   97.100         
Reading energy frame      6 time  114.500         
Reading energy frame      7 time  131.900         
Reading energy frame      8 time  149.300         
Reading energy frame      9 time  166.700         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/4 (24 ms)
+16: 
Reading energy frame      0 time   10.100         
Reading energy frame      1 time   27.500         
Reading energy frame      2 time   44.900         
Reading energy frame      3 time   62.300         
Reading energy frame      4 time   79.700         
Reading energy frame      5 time   97.100         
Reading energy frame      6 time  114.500         
Reading energy frame      7 time  131.900         
Reading energy frame      8 time  149.300         
Reading energy frame      9 time  166.700         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/4 (3 ms)
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/5
 16: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_5.edr as double precision energy file
-16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/5 (2 ms)
+16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/5 (1 ms)
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/6
 16: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_6.edr as double precision energy file
-16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/6 (9 ms)
+16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/6 (0 ms)
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/7
 16: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_7.edr as double precision energy file
-16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/7 (6 ms)
+16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/7 (0 ms)
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/8
 16: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_8.edr as double precision energy file
-16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/8 (5 ms)
+16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/8 (0 ms)
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/9
 16: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_9.edr as double precision energy file
-16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/9 (2 ms)
+16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/9 (0 ms)
 16: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/10
 16: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_10.edr as double precision energy file
-16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/10 (3 ms)
-16: [----------] 11 tests from WithParameters/EnergyOutputTest (70 ms total)
+16: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/10 (0 ms)
+16: [----------] 11 tests from WithParameters/EnergyOutputTest (12 ms total)
 16: 
 16: [----------] 24 tests from SimpleTests/CalculateAcceptanceWeightSimple
 16: [ RUN      ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/0
@@ -115130,7 +115350,7 @@
 16: [       OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/6 (0 ms)
 16: [ RUN      ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/7
 16: [       OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/7 (0 ms)
-16: [----------] 24 tests from SimpleTests/CalculateAcceptanceWeightSimple (1 ms total)
+16: [----------] 24 tests from SimpleTests/CalculateAcceptanceWeightSimple (0 ms total)
 16: 
 16: [----------] 14 tests from RegressionTests/CalculateAcceptanceWeightRangeRegression
 16: [ RUN      ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/0
@@ -115242,16 +115462,16 @@
 16: [ RUN      ] WithParameters/LangevinTest.SimpleIntegration/13
 16: [       OK ] WithParameters/LangevinTest.SimpleIntegration/13 (0 ms)
 16: [ RUN      ] WithParameters/LangevinTest.SimpleIntegration/14
-16: [       OK ] WithParameters/LangevinTest.SimpleIntegration/14 (3 ms)
+16: [       OK ] WithParameters/LangevinTest.SimpleIntegration/14 (0 ms)
 16: [ RUN      ] WithParameters/LangevinTest.SimpleIntegration/15
 16: [       OK ] WithParameters/LangevinTest.SimpleIntegration/15 (0 ms)
 16: [ RUN      ] WithParameters/LangevinTest.SimpleIntegration/16
 16: [       OK ] WithParameters/LangevinTest.SimpleIntegration/16 (0 ms)
-16: [----------] 17 tests from WithParameters/LangevinTest (21 ms total)
+16: [----------] 17 tests from WithParameters/LangevinTest (1 ms total)
 16: 
 16: [----------] 16 tests from WithParameters/LeapFrogTest
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/0
-16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/0 (4 ms)
+16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/0 (0 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/1
 16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/1 (0 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/2
@@ -115261,9 +115481,9 @@
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/4
 16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/4 (0 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/5
-16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/5 (2 ms)
+16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/5 (0 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/6
-16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/6 (7 ms)
+16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/6 (2 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/7
 16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/7 (0 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/8
@@ -115271,18 +115491,18 @@
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/9
 16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/9 (0 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/10
-16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/10 (2 ms)
+16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/10 (0 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/11
-16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/11 (2 ms)
+16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/11 (0 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/12
-16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/12 (1 ms)
+16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/12 (0 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/13
-16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/13 (2 ms)
+16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/13 (0 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/14
-16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/14 (2 ms)
+16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/14 (0 ms)
 16: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/15
-16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/15 (2 ms)
-16: [----------] 16 tests from WithParameters/LeapFrogTest (55 ms total)
+16: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/15 (0 ms)
+16: [----------] 16 tests from WithParameters/LeapFrogTest (10 ms total)
 16: 
 16: [----------] 140 tests from Cubic/ParrRahmTest
 16: [ RUN      ] Cubic/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_cubic_box_2_5_boxv__100
@@ -115565,7 +115785,7 @@
 16: [       OK ] Cubic/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_cubic_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] Cubic/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_cubic_box_10000_boxv_100
 16: [       OK ] Cubic/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_cubic_box_10000_boxv_100 (0 ms)
-16: [----------] 140 tests from Cubic/ParrRahmTest (70 ms total)
+16: [----------] 140 tests from Cubic/ParrRahmTest (4 ms total)
 16: 
 16: [----------] 140 tests from Rectilinear/ParrRahmTest
 16: [ RUN      ] Rectilinear/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_rect_box_2_5_boxv__100
@@ -115848,7 +116068,7 @@
 16: [       OK ] Rectilinear/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rect_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] Rectilinear/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rect_box_10000_boxv_100
 16: [       OK ] Rectilinear/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rect_box_10000_boxv_100 (0 ms)
-16: [----------] 140 tests from Rectilinear/ParrRahmTest (63 ms total)
+16: [----------] 140 tests from Rectilinear/ParrRahmTest (4 ms total)
 16: 
 16: [----------] 140 tests from RhombDodecXYSquare/ParrRahmTest
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_rds_box_2_5_boxv__100
@@ -115860,7 +116080,7 @@
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_rds_box_2_5_boxv_0
 16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_rds_box_2_5_boxv_0 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_rds_box_2_5_boxv_1e_07
-16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_rds_box_2_5_boxv_1e_07 (8 ms)
+16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_rds_box_2_5_boxv_1e_07 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_rds_box_2_5_boxv_1
 16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_rds_box_2_5_boxv_1 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_rds_box_2_5_boxv_100
@@ -115886,23 +116106,23 @@
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_2_5_boxv__1e_07
 16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_2_5_boxv__1e_07 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_2_5_boxv_0
-16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_2_5_boxv_0 (4 ms)
+16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_2_5_boxv_0 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_2_5_boxv_1e_07
-16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_2_5_boxv_1e_07 (3 ms)
+16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_2_5_boxv_1e_07 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_2_5_boxv_1
-16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_2_5_boxv_1 (3 ms)
+16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_2_5_boxv_1 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_2_5_boxv_100
-16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_2_5_boxv_100 (3 ms)
+16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_2_5_boxv_100 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_10000_boxv__100
-16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_10000_boxv__100 (3 ms)
+16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_10000_boxv__100 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_10000_boxv__1
-16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_10000_boxv__1 (3 ms)
+16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_10000_boxv__1 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_10000_boxv__1e_07
 16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_10000_boxv__1e_07 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_10000_boxv_0
-16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_10000_boxv_0 (3 ms)
+16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_10000_boxv_0 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_10000_boxv_1e_07
-16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_10000_boxv_1e_07 (3 ms)
+16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_10000_boxv_1e_07 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_10000_boxv_1
 16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_rds_box_10000_boxv_100
@@ -115924,19 +116144,19 @@
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rds_box_10000_boxv__100
 16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rds_box_10000_boxv__100 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rds_box_10000_boxv__1
-16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rds_box_10000_boxv__1 (7 ms)
+16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rds_box_10000_boxv__1 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rds_box_10000_boxv__1e_07
-16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rds_box_10000_boxv__1e_07 (1 ms)
+16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rds_box_10000_boxv__1e_07 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rds_box_10000_boxv_0
 16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rds_box_10000_boxv_0 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rds_box_10000_boxv_1e_07
-16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rds_box_10000_boxv_1e_07 (1 ms)
+16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rds_box_10000_boxv_1e_07 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rds_box_10000_boxv_1
-16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rds_box_10000_boxv_1 (4 ms)
+16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rds_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rds_box_10000_boxv_100
-16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rds_box_10000_boxv_100 (5 ms)
+16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rds_box_10000_boxv_100 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_2_5_boxv__100
-16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_2_5_boxv__100 (2 ms)
+16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_2_5_boxv__100 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_2_5_boxv__1
 16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_2_5_boxv__1 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_2_5_boxv__1e_07
@@ -115954,15 +116174,15 @@
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_10000_boxv__1
 16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_10000_boxv__1 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_10000_boxv__1e_07
-16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_10000_boxv__1e_07 (3 ms)
+16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_10000_boxv__1e_07 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_10000_boxv_0
-16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_10000_boxv_0 (3 ms)
+16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_10000_boxv_0 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_10000_boxv_1e_07
-16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_10000_boxv_1e_07 (3 ms)
+16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_10000_boxv_1e_07 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_10000_boxv_1
-16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_10000_boxv_1 (1 ms)
+16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_10000_boxv_100
-16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_10000_boxv_100 (6 ms)
+16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_general_shape_rds_box_10000_boxv_100 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_extreme_shape_rds_box_2_5_boxv__100
 16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_extreme_shape_rds_box_2_5_boxv__100 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_extreme_shape_rds_box_2_5_boxv__1
@@ -116131,7 +116351,7 @@
 16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rds_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rds_box_10000_boxv_100
 16: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rds_box_10000_boxv_100 (0 ms)
-16: [----------] 140 tests from RhombDodecXYSquare/ParrRahmTest (137 ms total)
+16: [----------] 140 tests from RhombDodecXYSquare/ParrRahmTest (4 ms total)
 16: 
 16: [----------] 140 tests from RhombDodecXYHex/ParrRahmTest
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_rdh_box_2_5_boxv__100
@@ -116205,29 +116425,29 @@
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_2_5_boxv_100
 16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_2_5_boxv_100 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv__100
-16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv__100 (3 ms)
+16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv__100 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv__1
-16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv__1 (3 ms)
+16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv__1 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv__1e_07
-16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv__1e_07 (3 ms)
+16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv__1e_07 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv_0
-16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv_0 (3 ms)
+16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv_0 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv_1e_07
-16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv_1e_07 (3 ms)
+16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv_1e_07 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv_1
-16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv_1 (3 ms)
+16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv_100
-16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv_100 (3 ms)
+16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_rdh_box_10000_boxv_100 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_general_shape_rdh_box_2_5_boxv__100
 16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_general_shape_rdh_box_2_5_boxv__100 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_general_shape_rdh_box_2_5_boxv__1
-16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_general_shape_rdh_box_2_5_boxv__1 (3 ms)
+16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_general_shape_rdh_box_2_5_boxv__1 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_general_shape_rdh_box_2_5_boxv__1e_07
 16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_general_shape_rdh_box_2_5_boxv__1e_07 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_general_shape_rdh_box_2_5_boxv_0
-16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_general_shape_rdh_box_2_5_boxv_0 (3 ms)
+16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_general_shape_rdh_box_2_5_boxv_0 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_general_shape_rdh_box_2_5_boxv_1e_07
-16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_general_shape_rdh_box_2_5_boxv_1e_07 (3 ms)
+16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_general_shape_rdh_box_2_5_boxv_1e_07 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_general_shape_rdh_box_2_5_boxv_1
 16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_general_shape_rdh_box_2_5_boxv_1 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_general_shape_rdh_box_2_5_boxv_100
@@ -116281,13 +116501,13 @@
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_rdh_box_2_5_boxv__1e_07
 16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_rdh_box_2_5_boxv__1e_07 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_rdh_box_2_5_boxv_0
-16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_rdh_box_2_5_boxv_0 (7 ms)
+16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_rdh_box_2_5_boxv_0 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_rdh_box_2_5_boxv_1e_07
 16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_rdh_box_2_5_boxv_1e_07 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_rdh_box_2_5_boxv_1
-16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_rdh_box_2_5_boxv_1 (3 ms)
+16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_rdh_box_2_5_boxv_1 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_rdh_box_2_5_boxv_100
-16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_rdh_box_2_5_boxv_100 (3 ms)
+16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_rdh_box_2_5_boxv_100 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_rdh_box_10000_boxv__100
 16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_rdh_box_10000_boxv__100 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_rdh_box_10000_boxv__1
@@ -116313,7 +116533,7 @@
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_rdh_box_2_5_boxv_1e_07
 16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_rdh_box_2_5_boxv_1e_07 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_rdh_box_2_5_boxv_1
-16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_rdh_box_2_5_boxv_1 (4 ms)
+16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_rdh_box_2_5_boxv_1 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_rdh_box_2_5_boxv_100
 16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_rdh_box_2_5_boxv_100 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_rdh_box_10000_boxv__100
@@ -116323,7 +116543,7 @@
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_rdh_box_10000_boxv__1e_07
 16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_rdh_box_10000_boxv__1e_07 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_rdh_box_10000_boxv_0
-16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_rdh_box_10000_boxv_0 (3 ms)
+16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_rdh_box_10000_boxv_0 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_rdh_box_10000_boxv_1e_07
 16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_rdh_box_10000_boxv_1e_07 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_rdh_box_10000_boxv_1
@@ -116357,9 +116577,9 @@
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_diagonal_shape_rdh_box_10000_boxv_1
 16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_diagonal_shape_rdh_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_diagonal_shape_rdh_box_10000_boxv_100
-16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_diagonal_shape_rdh_box_10000_boxv_100 (4 ms)
+16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_diagonal_shape_rdh_box_10000_boxv_100 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_general_shape_rdh_box_2_5_boxv__100
-16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_general_shape_rdh_box_2_5_boxv__100 (3 ms)
+16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_general_shape_rdh_box_2_5_boxv__100 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_general_shape_rdh_box_2_5_boxv__1
 16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_general_shape_rdh_box_2_5_boxv__1 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_general_shape_rdh_box_2_5_boxv__1e_07
@@ -116414,7 +116634,7 @@
 16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rdh_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rdh_box_10000_boxv_100
 16: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rdh_box_10000_boxv_100 (0 ms)
-16: [----------] 140 tests from RhombDodecXYHex/ParrRahmTest (132 ms total)
+16: [----------] 140 tests from RhombDodecXYHex/ParrRahmTest (4 ms total)
 16: 
 16: [----------] 140 tests from TruncOct/ParrRahmTest
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_to_box_2_5_boxv__100
@@ -116428,13 +116648,13 @@
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_to_box_2_5_boxv_1e_07
 16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_to_box_2_5_boxv_1e_07 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_to_box_2_5_boxv_1
-16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_to_box_2_5_boxv_1 (10 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_to_box_2_5_boxv_1 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_to_box_2_5_boxv_100
 16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_to_box_2_5_boxv_100 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_to_box_10000_boxv__100
 16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_to_box_10000_boxv__100 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_to_box_10000_boxv__1
-16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_to_box_10000_boxv__1 (3 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_to_box_10000_boxv__1 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_to_box_10000_boxv__1e_07
 16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_to_box_10000_boxv__1e_07 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_to_box_10000_boxv_0
@@ -116476,13 +116696,13 @@
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_to_box_2_5_boxv__100
 16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_to_box_2_5_boxv__100 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_to_box_2_5_boxv__1
-16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_to_box_2_5_boxv__1 (5 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_to_box_2_5_boxv__1 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_to_box_2_5_boxv__1e_07
 16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_to_box_2_5_boxv__1e_07 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_to_box_2_5_boxv_0
 16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_to_box_2_5_boxv_0 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_to_box_2_5_boxv_1e_07
-16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_to_box_2_5_boxv_1e_07 (3 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_to_box_2_5_boxv_1e_07 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_to_box_2_5_boxv_1
 16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_to_box_2_5_boxv_1 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_to_box_2_5_boxv_100
@@ -116512,19 +116732,19 @@
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_2_5_boxv_1e_07
 16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_2_5_boxv_1e_07 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_2_5_boxv_1
-16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_2_5_boxv_1 (6 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_2_5_boxv_1 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_2_5_boxv_100
-16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_2_5_boxv_100 (3 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_2_5_boxv_100 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_10000_boxv__100
-16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_10000_boxv__100 (3 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_10000_boxv__100 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_10000_boxv__1
-16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_10000_boxv__1 (3 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_10000_boxv__1 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_10000_boxv__1e_07
-16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_10000_boxv__1e_07 (3 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_10000_boxv__1e_07 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_10000_boxv_0
-16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_10000_boxv_0 (3 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_10000_boxv_0 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_10000_boxv_1e_07
-16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_10000_boxv_1e_07 (3 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_10000_boxv_1e_07 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_10000_boxv_1
 16: [       OK ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_general_shape_to_box_10000_boxv_100
@@ -116594,17 +116814,17 @@
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_2_5_boxv_0
 16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_2_5_boxv_0 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_2_5_boxv_1e_07
-16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_2_5_boxv_1e_07 (3 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_2_5_boxv_1e_07 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_2_5_boxv_1
-16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_2_5_boxv_1 (3 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_2_5_boxv_1 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_2_5_boxv_100
-16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_2_5_boxv_100 (3 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_2_5_boxv_100 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_10000_boxv__100
-16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_10000_boxv__100 (3 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_10000_boxv__100 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_10000_boxv__1
-16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_10000_boxv__1 (3 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_10000_boxv__1 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_10000_boxv__1e_07
-16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_10000_boxv__1e_07 (4 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_10000_boxv__1e_07 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_10000_boxv_0
 16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_10000_boxv_0 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_to_box_10000_boxv_1e_07
@@ -116660,15 +116880,15 @@
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_general_shape_to_box_10000_boxv__1
 16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_general_shape_to_box_10000_boxv__1 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_general_shape_to_box_10000_boxv__1e_07
-16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_general_shape_to_box_10000_boxv__1e_07 (9 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_general_shape_to_box_10000_boxv__1e_07 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_general_shape_to_box_10000_boxv_0
 16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_general_shape_to_box_10000_boxv_0 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_general_shape_to_box_10000_boxv_1e_07
-16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_general_shape_to_box_10000_boxv_1e_07 (3 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_general_shape_to_box_10000_boxv_1e_07 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_general_shape_to_box_10000_boxv_1
-16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_general_shape_to_box_10000_boxv_1 (3 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_general_shape_to_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_general_shape_to_box_10000_boxv_100
-16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_general_shape_to_box_10000_boxv_100 (3 ms)
+16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_general_shape_to_box_10000_boxv_100 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_to_box_2_5_boxv__100
 16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_to_box_2_5_boxv__100 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_to_box_2_5_boxv__1
@@ -116697,13 +116917,13 @@
 16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_to_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_to_box_10000_boxv_100
 16: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_to_box_10000_boxv_100 (0 ms)
-16: [----------] 140 tests from TruncOct/ParrRahmTest (127 ms total)
+16: [----------] 140 tests from TruncOct/ParrRahmTest (4 ms total)
 16: 
 16: [----------] 140 tests from Other/ParrRahmTest
 16: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_other_box_2_5_boxv__100
 16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_other_box_2_5_boxv__100 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_other_box_2_5_boxv__1
-16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_other_box_2_5_boxv__1 (3 ms)
+16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_other_box_2_5_boxv__1 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_other_box_2_5_boxv__1e_07
 16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_other_box_2_5_boxv__1e_07 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_other_box_2_5_boxv_0
@@ -116735,11 +116955,11 @@
 16: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_other_box_2_5_boxv__1e_07
 16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_other_box_2_5_boxv__1e_07 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_other_box_2_5_boxv_0
-16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_other_box_2_5_boxv_0 (6 ms)
+16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_other_box_2_5_boxv_0 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_other_box_2_5_boxv_1e_07
-16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_other_box_2_5_boxv_1e_07 (3 ms)
+16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_other_box_2_5_boxv_1e_07 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_other_box_2_5_boxv_1
-16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_other_box_2_5_boxv_1 (3 ms)
+16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_other_box_2_5_boxv_1 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_other_box_2_5_boxv_100
 16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_other_box_2_5_boxv_100 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_part_unif_diag_shape_other_box_10000_boxv__100
@@ -116779,7 +116999,7 @@
 16: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_other_box_10000_boxv_0
 16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_other_box_10000_boxv_0 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_other_box_10000_boxv_1e_07
-16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_other_box_10000_boxv_1e_07 (10 ms)
+16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_other_box_10000_boxv_1e_07 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_other_box_10000_boxv_1
 16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_other_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_diagonal_shape_other_box_10000_boxv_100
@@ -116787,7 +117007,7 @@
 16: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_general_shape_other_box_2_5_boxv__100
 16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_general_shape_other_box_2_5_boxv__100 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_general_shape_other_box_2_5_boxv__1
-16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_general_shape_other_box_2_5_boxv__1 (3 ms)
+16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_general_shape_other_box_2_5_boxv__1 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_general_shape_other_box_2_5_boxv__1e_07
 16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_general_shape_other_box_2_5_boxv__1e_07 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_general_shape_other_box_2_5_boxv_0
@@ -116841,11 +117061,11 @@
 16: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_extreme_shape_other_box_10000_boxv_100
 16: [       OK ] Other/ParrRahmTest.Works/Isotropic_pmt_extreme_shape_other_box_10000_boxv_100 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_other_box_2_5_boxv__100
-16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_other_box_2_5_boxv__100 (7 ms)
+16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_other_box_2_5_boxv__100 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_other_box_2_5_boxv__1
-16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_other_box_2_5_boxv__1 (3 ms)
+16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_other_box_2_5_boxv__1 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_other_box_2_5_boxv__1e_07
-16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_other_box_2_5_boxv__1e_07 (3 ms)
+16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_other_box_2_5_boxv__1e_07 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_other_box_2_5_boxv_0
 16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_other_box_2_5_boxv_0 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_unif_diag_shape_other_box_2_5_boxv_1e_07
@@ -116887,15 +117107,15 @@
 16: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_other_box_10000_boxv__1
 16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_other_box_10000_boxv__1 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_other_box_10000_boxv__1e_07
-16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_other_box_10000_boxv__1e_07 (4 ms)
+16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_other_box_10000_boxv__1e_07 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_other_box_10000_boxv_0
-16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_other_box_10000_boxv_0 (3 ms)
+16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_other_box_10000_boxv_0 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_other_box_10000_boxv_1e_07
-16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_other_box_10000_boxv_1e_07 (3 ms)
+16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_other_box_10000_boxv_1e_07 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_other_box_10000_boxv_1
-16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_other_box_10000_boxv_1 (3 ms)
+16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_other_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_other_box_10000_boxv_100
-16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_other_box_10000_boxv_100 (3 ms)
+16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_part_unif_diag_shape_other_box_10000_boxv_100 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_diagonal_shape_other_box_2_5_boxv__100
 16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_diagonal_shape_other_box_2_5_boxv__100 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_diagonal_shape_other_box_2_5_boxv__1
@@ -116945,9 +117165,9 @@
 16: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_general_shape_other_box_10000_boxv__1e_07
 16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_general_shape_other_box_10000_boxv__1e_07 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_general_shape_other_box_10000_boxv_0
-16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_general_shape_other_box_10000_boxv_0 (5 ms)
+16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_general_shape_other_box_10000_boxv_0 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_general_shape_other_box_10000_boxv_1e_07
-16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_general_shape_other_box_10000_boxv_1e_07 (3 ms)
+16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_general_shape_other_box_10000_boxv_1e_07 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_general_shape_other_box_10000_boxv_1
 16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_general_shape_other_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_general_shape_other_box_10000_boxv_100
@@ -116980,7 +117200,7 @@
 16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_other_box_10000_boxv_1 (0 ms)
 16: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_other_box_10000_boxv_100
 16: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_other_box_10000_boxv_100 (0 ms)
-16: [----------] 140 tests from Other/ParrRahmTest (113 ms total)
+16: [----------] 140 tests from Other/ParrRahmTest (4 ms total)
 16: 
 16: [----------] 13 tests from WithParameters/SettleTest
 16: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/0
@@ -116996,25 +117216,25 @@
 16: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/5
 16: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/5 (0 ms)
 16: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/6
-16: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/6 (4 ms)
+16: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/6 (0 ms)
 16: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/7
 16: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/7 (0 ms)
 16: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/8
-16: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/8 (1 ms)
+16: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/8 (0 ms)
 16: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/9
-16: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/9 (9 ms)
+16: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/9 (0 ms)
 16: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/10
 16: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/10 (0 ms)
 16: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/11
-16: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/11 (1 ms)
+16: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/11 (0 ms)
 16: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/12
-16: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/12 (1 ms)
-16: [----------] 13 tests from WithParameters/SettleTest (30 ms total)
+16: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/12 (0 ms)
+16: [----------] 13 tests from WithParameters/SettleTest (4 ms total)
 16: 
 16: [----------] Global test environment tear-down
-16: [==========] 1032 tests from 27 test suites ran. (895 ms total)
+16: [==========] 1032 tests from 27 test suites ran. (74 ms total)
 16: [  PASSED  ] 1032 tests.
-16/92 Test #16: MdlibUnitTest .............................   Passed    1.07 sec
+16/92 Test #16: MdlibUnitTest .............................   Passed    0.16 sec
 test 17
       Start 17: AwhTest
 
@@ -117034,8 +117254,8 @@
 17: 
 17: [----------] 1 test from BiasTest
 17: [ RUN      ] BiasTest.DetectsCovering
-17: [       OK ] BiasTest.DetectsCovering (3 ms)
-17: [----------] 1 test from BiasTest (3 ms total)
+17: [       OK ] BiasTest.DetectsCovering (0 ms)
+17: [----------] 1 test from BiasTest (0 ms total)
 17: 
 17: [----------] 1 test from biasGridTest
 17: [ RUN      ] biasGridTest.neighborhood
@@ -117044,17 +117264,17 @@
 17: 
 17: [----------] 2 tests from BiasSharingTest
 17: [ RUN      ] BiasSharingTest.SharingWorks
-17: [       OK ] BiasSharingTest.SharingWorks (83 ms)
+17: [       OK ] BiasSharingTest.SharingWorks (0 ms)
 17: [ RUN      ] BiasSharingTest.SharingScalingByMetricWorks
-17: [       OK ] BiasSharingTest.SharingScalingByMetricWorks (107 ms)
-17: [----------] 2 tests from BiasSharingTest (191 ms total)
+17: [       OK ] BiasSharingTest.SharingScalingByMetricWorks (2 ms)
+17: [----------] 2 tests from BiasSharingTest (3 ms total)
 17: 
 17: [----------] 2 tests from BiasFepLambdaStateTest
 17: [ RUN      ] BiasFepLambdaStateTest.DetectsCovering
 17: [       OK ] BiasFepLambdaStateTest.DetectsCovering (1 ms)
 17: [ RUN      ] BiasFepLambdaStateTest.DetectsLargeNegativeForeignEnergy
 17: [       OK ] BiasFepLambdaStateTest.DetectsLargeNegativeForeignEnergy (0 ms)
-17: [----------] 2 tests from BiasFepLambdaStateTest (2 ms total)
+17: [----------] 2 tests from BiasFepLambdaStateTest (1 ms total)
 17: 
 17: [----------] 8 tests from WithParameters/BiasTest
 17: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/0
@@ -117070,17 +117290,17 @@
 17: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/5
 17: [       OK ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/5 (0 ms)
 17: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/6
-17: [       OK ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/6 (1 ms)
+17: [       OK ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/6 (0 ms)
 17: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/7
 17: [       OK ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/7 (0 ms)
-17: [----------] 8 tests from WithParameters/BiasTest (15 ms total)
+17: [----------] 8 tests from WithParameters/BiasTest (2 ms total)
 17: 
 17: [----------] 2 tests from WithParameters/BiasStateTest
 17: [ RUN      ] WithParameters/BiasStateTest.InitializesFromFile/0
 17: [       OK ] WithParameters/BiasStateTest.InitializesFromFile/0 (0 ms)
 17: [ RUN      ] WithParameters/BiasStateTest.InitializesFromFile/1
 17: [       OK ] WithParameters/BiasStateTest.InitializesFromFile/1 (0 ms)
-17: [----------] 2 tests from WithParameters/BiasStateTest (1 ms total)
+17: [----------] 2 tests from WithParameters/BiasStateTest (0 ms total)
 17: 
 17: [----------] 1 test from WithParameters/UserInputTest
 17: [ RUN      ] WithParameters/UserInputTest.ParsesUser3DInput/0
@@ -117089,28 +117309,28 @@
 17: 
 17: [----------] 4 tests from WithParameters/BiasFepLambdaStateTest
 17: [ RUN      ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/0
-17: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/0 (7 ms)
+17: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/0 (3 ms)
 17: [ RUN      ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/1
-17: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/1 (4 ms)
+17: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/1 (3 ms)
 17: [ RUN      ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/2
-17: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/2 (4 ms)
+17: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/2 (3 ms)
 17: [ RUN      ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/3
-17: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/3 (4 ms)
-17: [----------] 4 tests from WithParameters/BiasFepLambdaStateTest (34 ms total)
+17: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/3 (3 ms)
+17: [----------] 4 tests from WithParameters/BiasFepLambdaStateTest (14 ms total)
 17: 
 17: [----------] 3 tests from WithParameters/FrictionMetricTest
 17: [ RUN      ] WithParameters/FrictionMetricTest.FrictionMetric/0
 17: [       OK ] WithParameters/FrictionMetricTest.FrictionMetric/0 (0 ms)
 17: [ RUN      ] WithParameters/FrictionMetricTest.FrictionMetric/1
-17: [       OK ] WithParameters/FrictionMetricTest.FrictionMetric/1 (3 ms)
+17: [       OK ] WithParameters/FrictionMetricTest.FrictionMetric/1 (0 ms)
 17: [ RUN      ] WithParameters/FrictionMetricTest.FrictionMetric/2
-17: [       OK ] WithParameters/FrictionMetricTest.FrictionMetric/2 (18 ms)
-17: [----------] 3 tests from WithParameters/FrictionMetricTest (28 ms total)
+17: [       OK ] WithParameters/FrictionMetricTest.FrictionMetric/2 (10 ms)
+17: [----------] 3 tests from WithParameters/FrictionMetricTest (12 ms total)
 17: 
 17: [----------] Global test environment tear-down
-17: [==========] 27 tests from 10 test suites ran. (290 ms total)
+17: [==========] 27 tests from 10 test suites ran. (36 ms total)
 17: [  PASSED  ] 27 tests.
-17/92 Test #17: AwhTest ...................................   Passed    0.31 sec
+17/92 Test #17: AwhTest ...................................   Passed    0.05 sec
 test 18
       Start 18: DensityFittingAppliedForcesUnitTest
 
@@ -117124,7 +117344,7 @@
 18: [       OK ] DensityFittingTest.ForceProviderLackingInputThrows (0 ms)
 18: [ RUN      ] DensityFittingTest.SingleAtom
 18: [       OK ] DensityFittingTest.SingleAtom (0 ms)
-18: [----------] 2 tests from DensityFittingTest (1 ms total)
+18: [----------] 2 tests from DensityFittingTest (0 ms total)
 18: 
 18: [----------] 7 tests from DensityFittingAmplitudeLookupTest
 18: [ RUN      ] DensityFittingAmplitudeLookupTest.Unity
@@ -117165,12 +117385,12 @@
 18: [       OK ] DensityFittingOptionsTest.KvtToInternal (0 ms)
 18: [ RUN      ] DensityFittingOptionsTest.RoundTripForInternalsIsIdempotent
 18: [       OK ] DensityFittingOptionsTest.RoundTripForInternalsIsIdempotent (0 ms)
-18: [----------] 8 tests from DensityFittingOptionsTest (2 ms total)
+18: [----------] 8 tests from DensityFittingOptionsTest (0 ms total)
 18: 
 18: [----------] Global test environment tear-down
-18: [==========] 18 tests from 4 test suites ran. (11 ms total)
+18: [==========] 18 tests from 4 test suites ran. (1 ms total)
 18: [  PASSED  ] 18 tests.
-18/92 Test #18: DensityFittingAppliedForcesUnitTest .......   Passed    0.03 sec
+18/92 Test #18: DensityFittingAppliedForcesUnitTest .......   Passed    0.01 sec
 test 19
       Start 19: QMMMAppliedForcesUnitTest
 
@@ -117183,10 +117403,10 @@
 19: [ RUN      ] QMMMInputGeneratorTest.CanConstruct
 19: [       OK ] QMMMInputGeneratorTest.CanConstruct (0 ms)
 19: [ RUN      ] QMMMInputGeneratorTest.TwoWatersPBENoLink
-19: [       OK ] QMMMInputGeneratorTest.TwoWatersPBENoLink (1 ms)
+19: [       OK ] QMMMInputGeneratorTest.TwoWatersPBENoLink (0 ms)
 19: [ RUN      ] QMMMInputGeneratorTest.TwoWatersPBEWithLink
 19: [       OK ] QMMMInputGeneratorTest.TwoWatersPBEWithLink (0 ms)
-19: [----------] 3 tests from QMMMInputGeneratorTest (1 ms total)
+19: [----------] 3 tests from QMMMInputGeneratorTest (0 ms total)
 19: 
 19: [----------] 7 tests from QMMMTopologyPreprocessorTest
 19: [ RUN      ] QMMMTopologyPreprocessorTest.CanConstruct
@@ -117215,7 +117435,7 @@
 19: There were 3 NOTEs
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersFirstQMNoLink_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersFirstQMNoLink_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-19: Setting the LD random seed to -235184577
+19: Setting the LD random seed to -3793945
 19: 
 19: Generated 10 of the 10 non-bonded parameter combinations
 19: 
@@ -117228,7 +117448,7 @@
 19: There are:     4      Water residues
 19: 
 19: This run will generate roughly 0 Mb of data
-19: [       OK ] QMMMTopologyPreprocessorTest.FourWatersFirstQMNoLink (7 ms)
+19: [       OK ] QMMMTopologyPreprocessorTest.FourWatersFirstQMNoLink (2 ms)
 19: [ RUN      ] QMMMTopologyPreprocessorTest.FourWatersSeondAndForthQMNoLink
 19: 
 19: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersSeondAndForthQMNoLink_4water.mdp]:
@@ -117253,7 +117473,7 @@
 19: There were 3 NOTEs
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersSeondAndForthQMNoLink_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersSeondAndForthQMNoLink_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-19: Setting the LD random seed to -1684013587
+19: Setting the LD random seed to -27399181
 19: 
 19: Generated 10 of the 10 non-bonded parameter combinations
 19: 
@@ -117266,7 +117486,7 @@
 19: There are:     4      Water residues
 19: 
 19: This run will generate roughly 0 Mb of data
-19: [       OK ] QMMMTopologyPreprocessorTest.FourWatersSeondAndForthQMNoLink (8 ms)
+19: [       OK ] QMMMTopologyPreprocessorTest.FourWatersSeondAndForthQMNoLink (2 ms)
 19: [ RUN      ] QMMMTopologyPreprocessorTest.FourWatersFirstQMWithLink
 19: 
 19: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersFirstQMWithLink_4water.mdp]:
@@ -117291,7 +117511,7 @@
 19: There were 3 NOTEs
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersFirstQMWithLink_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersFirstQMWithLink_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-19: Setting the LD random seed to 947876909
+19: Setting the LD random seed to -22551427
 19: 
 19: Generated 10 of the 10 non-bonded parameter combinations
 19: 
@@ -117304,7 +117524,7 @@
 19: There are:     4      Water residues
 19: 
 19: This run will generate roughly 0 Mb of data
-19: [       OK ] QMMMTopologyPreprocessorTest.FourWatersFirstQMWithLink (4 ms)
+19: [       OK ] QMMMTopologyPreprocessorTest.FourWatersFirstQMWithLink (2 ms)
 19: [ RUN      ] QMMMTopologyPreprocessorTest.AlanineDipeptideWithLinksNoConstraints
 19: 
 19: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_AlanineDipeptideWithLinksNoConstraints_alanine_vacuo.mdp]:
@@ -117329,7 +117549,7 @@
 19: There were 3 NOTEs
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_AlanineDipeptideWithLinksNoConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_AlanineDipeptideWithLinksNoConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-19: Setting the LD random seed to -974196849
+19: Setting the LD random seed to -268436561
 19: 
 19: Generated 2145 of the 2145 non-bonded parameter combinations
 19: 
@@ -117351,7 +117571,7 @@
 19: Note that mdrun will redetermine rlist based on the actual pair-list setup
 19: 
 19: This run will generate roughly 0 Mb of data
-19: [       OK ] QMMMTopologyPreprocessorTest.AlanineDipeptideWithLinksNoConstraints (22 ms)
+19: [       OK ] QMMMTopologyPreprocessorTest.AlanineDipeptideWithLinksNoConstraints (7 ms)
 19: [ RUN      ] QMMMTopologyPreprocessorTest.AlanineDipeptideWithLinksWithConstraints
 19: 
 19: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_AlanineDipeptideWithLinksWithConstraints_alanine_vacuo.mdp]:
@@ -117387,7 +117607,7 @@
 19: There were 5 NOTEs
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_AlanineDipeptideWithLinksWithConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_AlanineDipeptideWithLinksWithConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-19: Setting the LD random seed to -277357573
+19: Setting the LD random seed to -42255779
 19: 
 19: Generated 2145 of the 2145 non-bonded parameter combinations
 19: 
@@ -117411,7 +117631,7 @@
 19: Note that mdrun will redetermine rlist based on the actual pair-list setup
 19: 
 19: This run will generate roughly 0 Mb of data
-19: [       OK ] QMMMTopologyPreprocessorTest.AlanineDipeptideWithLinksWithConstraints (16 ms)
+19: [       OK ] QMMMTopologyPreprocessorTest.AlanineDipeptideWithLinksWithConstraints (7 ms)
 19: [ RUN      ] QMMMTopologyPreprocessorTest.RemovingQMVsites
 19: 
 19: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_RemovingQMVsites_vsite_test.mdp]:
@@ -117435,7 +117655,7 @@
 19: There were 3 NOTEs
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_RemovingQMVsites_vsite_test.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 19: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_RemovingQMVsites_vsite_test.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-19: Setting the LD random seed to 1862221151
+19: Setting the LD random seed to -1075061761
 19: 
 19: Generated 3 of the 6 non-bonded parameter combinations
 19: 
@@ -117449,8 +117669,8 @@
 19: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 19: 
 19: This run will generate roughly 0 Mb of data
-19: [       OK ] QMMMTopologyPreprocessorTest.RemovingQMVsites (9 ms)
-19: [----------] 7 tests from QMMMTopologyPreprocessorTest (70 ms total)
+19: [       OK ] QMMMTopologyPreprocessorTest.RemovingQMVsites (2 ms)
+19: [----------] 7 tests from QMMMTopologyPreprocessorTest (26 ms total)
 19: 
 19: [----------] 9 tests from QMMMOptionsTest
 19: [ RUN      ] QMMMOptionsTest.DefaultParameters
@@ -117471,7 +117691,7 @@
 19: [       OK ] QMMMOptionsTest.InternalsToKvtAndBack (0 ms)
 19: [ RUN      ] QMMMOptionsTest.CP2KInputProcessing
 19: [       OK ] QMMMOptionsTest.CP2KInputProcessing (0 ms)
-19: [----------] 9 tests from QMMMOptionsTest (4 ms total)
+19: [----------] 9 tests from QMMMOptionsTest (0 ms total)
 19: 
 19: [----------] 1 test from QMMMForceProviderTest
 19: [ RUN      ] QMMMForceProviderTest.CanConstructOrNot
@@ -117484,9 +117704,9 @@
 19: [----------] 1 test from QMMMTest (0 ms total)
 19: 
 19: [----------] Global test environment tear-down
-19: [==========] 21 tests from 5 test suites ran. (80 ms total)
+19: [==========] 21 tests from 5 test suites ran. (27 ms total)
 19: [  PASSED  ] 21 tests.
-19/92 Test #19: QMMMAppliedForcesUnitTest .................   Passed    0.10 sec
+19/92 Test #19: QMMMAppliedForcesUnitTest .................   Passed    0.04 sec
 test 20
       Start 20: ColvarsAppliedForcesUnitTest
 
@@ -117533,7 +117753,7 @@
 20: There were 3 NOTEs
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsOptionsTest_InternalsToKvtAndBack_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsOptionsTest_InternalsToKvtAndBack_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-20: Setting the LD random seed to -769
+20: Setting the LD random seed to -822355074
 20: 
 20: Generated 10 of the 10 non-bonded parameter combinations
 20: 
@@ -117546,10 +117766,10 @@
 20: There are:     4      Water residues
 20: 
 20: This run will generate roughly 0 Mb of data
-20: [       OK ] ColvarsOptionsTest.InternalsToKvtAndBack (23 ms)
+20: [       OK ] ColvarsOptionsTest.InternalsToKvtAndBack (5 ms)
 20: [ RUN      ] ColvarsOptionsTest.RetrieveEdrFilename
 20: [       OK ] ColvarsOptionsTest.RetrieveEdrFilename (0 ms)
-20: [----------] 6 tests from ColvarsOptionsTest (27 ms total)
+20: [----------] 6 tests from ColvarsOptionsTest (6 ms total)
 20: 
 20: [----------] 4 tests from ColvarsPreProcessorTest
 20: [ RUN      ] ColvarsPreProcessorTest.CanConstructColvarsPreProcess
@@ -117576,7 +117796,7 @@
 20: There were 3 NOTEs
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CanConstructColvarsPreProcess_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CanConstructColvarsPreProcess_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-20: Setting the LD random seed to -604132117
+20: Setting the LD random seed to -147296519
 20: 
 20: Generated 10 of the 10 non-bonded parameter combinations
 20: 
@@ -117589,7 +117809,7 @@
 20: There are:     4      Water residues
 20: 
 20: This run will generate roughly 0 Mb of data
-20: [       OK ] ColvarsPreProcessorTest.CanConstructColvarsPreProcess (8 ms)
+20: [       OK ] ColvarsPreProcessorTest.CanConstructColvarsPreProcess (2 ms)
 20: [ RUN      ] ColvarsPreProcessorTest.CheckValuesFourWaters
 20: 
 20: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CheckValuesFourWaters_4water.mdp]:
@@ -117614,7 +117834,7 @@
 20: There were 3 NOTEs
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CheckValuesFourWaters_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CheckValuesFourWaters_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-20: Setting the LD random seed to 1866457342
+20: Setting the LD random seed to -617644066
 20: 
 20: Generated 10 of the 10 non-bonded parameter combinations
 20: 
@@ -117627,7 +117847,7 @@
 20: There are:     4      Water residues
 20: 
 20: This run will generate roughly 0 Mb of data
-20: [       OK ] ColvarsPreProcessorTest.CheckValuesFourWaters (5 ms)
+20: [       OK ] ColvarsPreProcessorTest.CheckValuesFourWaters (3 ms)
 20: [ RUN      ] ColvarsPreProcessorTest.CheckNestedInputFiles
 20: 
 20: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CheckNestedInputFiles_4water.mdp]:
@@ -117652,7 +117872,7 @@
 20: There were 3 NOTEs
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CheckNestedInputFiles_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CheckNestedInputFiles_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-20: Setting the LD random seed to 1065353087
+20: Setting the LD random seed to -1415450642
 20: 
 20: Generated 10 of the 10 non-bonded parameter combinations
 20: 
@@ -117665,7 +117885,7 @@
 20: There are:     4      Water residues
 20: 
 20: This run will generate roughly 0 Mb of data
-20: [       OK ] ColvarsPreProcessorTest.CheckNestedInputFiles (11 ms)
+20: [       OK ] ColvarsPreProcessorTest.CheckNestedInputFiles (3 ms)
 20: [ RUN      ] ColvarsPreProcessorTest.WrongColvarsInput
 20: 
 20: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_WrongColvarsInput_4water.mdp]:
@@ -117690,7 +117910,7 @@
 20: There were 3 NOTEs
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_WrongColvarsInput_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_WrongColvarsInput_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-20: Setting the LD random seed to -957096451
+20: Setting the LD random seed to -1610617881
 20: 
 20: Generated 10 of the 10 non-bonded parameter combinations
 20: 
@@ -117703,8 +117923,8 @@
 20: There are:     4      Water residues
 20: 
 20: This run will generate roughly 0 Mb of data
-20: [       OK ] ColvarsPreProcessorTest.WrongColvarsInput (4 ms)
-20: [----------] 4 tests from ColvarsPreProcessorTest (32 ms total)
+20: [       OK ] ColvarsPreProcessorTest.WrongColvarsInput (3 ms)
+20: [----------] 4 tests from ColvarsPreProcessorTest (13 ms total)
 20: 
 20: [----------] 5 tests from ColvarsForceProviderTest
 20: [ RUN      ] ColvarsForceProviderTest.CanConstructOrNot
@@ -117733,7 +117953,7 @@
 20: There were 3 NOTEs
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_SimpleInputs_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_SimpleInputs_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-20: Setting the LD random seed to -411370119
+20: Setting the LD random seed to -855937805
 20: 
 20: Generated 10 of the 10 non-bonded parameter combinations
 20: 
@@ -117746,7 +117966,7 @@
 20: There are:     4      Water residues
 20: 
 20: This run will generate roughly 0 Mb of data
-20: [       OK ] ColvarsForceProviderTest.SimpleInputs (8 ms)
+20: [       OK ] ColvarsForceProviderTest.SimpleInputs (3 ms)
 20: [ RUN      ] ColvarsForceProviderTest.WrongColvarsInput
 20: 
 20: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_WrongColvarsInput_4water.mdp]:
@@ -117771,7 +117991,7 @@
 20: There were 3 NOTEs
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_WrongColvarsInput_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_WrongColvarsInput_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-20: Setting the LD random seed to -1293944331
+20: Setting the LD random seed to -30736405
 20: 
 20: Generated 10 of the 10 non-bonded parameter combinations
 20: 
@@ -117784,7 +118004,7 @@
 20: There are:     4      Water residues
 20: 
 20: This run will generate roughly 0 Mb of data
-20: [       OK ] ColvarsForceProviderTest.WrongColvarsInput (6 ms)
+20: [       OK ] ColvarsForceProviderTest.WrongColvarsInput (2 ms)
 20: [ RUN      ] ColvarsForceProviderTest.CalculateForces4water
 20: 
 20: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_CalculateForces4water_4water.mdp]:
@@ -117809,7 +118029,7 @@
 20: There were 3 NOTEs
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_CalculateForces4water_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_CalculateForces4water_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-20: Setting the LD random seed to -17073069
+20: Setting the LD random seed to -1048705
 20: 
 20: Generated 10 of the 10 non-bonded parameter combinations
 20: 
@@ -117822,7 +118042,7 @@
 20: There are:     4      Water residues
 20: 
 20: This run will generate roughly 0 Mb of data
-20: [       OK ] ColvarsForceProviderTest.CalculateForces4water (31 ms)
+20: [       OK ] ColvarsForceProviderTest.CalculateForces4water (10 ms)
 20: [ RUN      ] ColvarsForceProviderTest.CalculateForcesAlanine
 20: 
 20: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_CalculateForcesAlanine_ala.mdp]:
@@ -117847,7 +118067,7 @@
 20: There were 3 NOTEs
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_CalculateForcesAlanine_ala.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 20: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_CalculateForcesAlanine_ala.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-20: Setting the LD random seed to -3196802
+20: Setting the LD random seed to -1115734305
 20: 
 20: Generated 2211 of the 2211 non-bonded parameter combinations
 20: 
@@ -117869,13 +118089,13 @@
 20: Note that mdrun will redetermine rlist based on the actual pair-list setup
 20: 
 20: This run will generate roughly 0 Mb of data
-20: [       OK ] ColvarsForceProviderTest.CalculateForcesAlanine (55 ms)
-20: [----------] 5 tests from ColvarsForceProviderTest (103 ms total)
+20: [       OK ] ColvarsForceProviderTest.CalculateForcesAlanine (13 ms)
+20: [----------] 5 tests from ColvarsForceProviderTest (30 ms total)
 20: 
 20: [----------] Global test environment tear-down
-20: [==========] 16 tests from 4 test suites ran. (164 ms total)
+20: [==========] 16 tests from 4 test suites ran. (51 ms total)
 20: [  PASSED  ] 16 tests.
-20/92 Test #20: ColvarsAppliedForcesUnitTest ..............   Passed    0.19 sec
+20/92 Test #20: ColvarsAppliedForcesUnitTest ..............   Passed    0.06 sec
 test 21
       Start 21: PlumedAppliedForcesUnitTests
 
@@ -118025,7 +118245,7 @@
 21: There were 3 NOTEs
 21: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests/Testing/Temporary/PlumedOptionsTest_setTopology_spc_and_methane.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 21: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/plumed/tests/Testing/Temporary/PlumedOptionsTest_setTopology_spc_and_methane.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-21: Setting the LD random seed to -832573698
+21: Setting the LD random seed to -38666762
 21: 
 21: Generated 10 of the 10 non-bonded parameter combinations
 21: 
@@ -118038,7 +118258,7 @@
 21: There are:     4      Water residues
 21: 
 21: This run will generate roughly 0 Mb of data
-21: Setting the LD random seed to -1073791242
+21: Setting the LD random seed to 1870462767
 21: 
 21: Generated 3 of the 3 non-bonded parameter combinations
 21: 
@@ -118058,7 +118278,7 @@
 21: Note that mdrun will redetermine rlist based on the actual pair-list setup
 21: 
 21: This run will generate roughly 0 Mb of data
-21: Setting the LD random seed to -704643203
+21: Setting the LD random seed to -1829243145
 21: 
 21: Generated 1 of the 1 non-bonded parameter combinations
 21: 
@@ -118078,7 +118298,7 @@
 21: Note that mdrun will redetermine rlist based on the actual pair-list setup
 21: 
 21: This run will generate roughly 0 Mb of data
-21: Setting the LD random seed to -13057
+21: Setting the LD random seed to -423643141
 21: 
 21: Generated 1 of the 1 non-bonded parameter combinations
 21: 
@@ -118096,7 +118316,7 @@
 21: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 21: 
 21: This run will generate roughly 0 Mb of data
-21: Setting the LD random seed to -541071393
+21: Setting the LD random seed to -335546625
 21: 
 21: Generated 1 of the 1 non-bonded parameter combinations
 21: 
@@ -118108,7 +118328,7 @@
 21: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 21: 
 21: This run will generate roughly 0 Mb of data
-21: Setting the LD random seed to -856801377
+21: Setting the LD random seed to -604513473
 21: 
 21: Generated 331705 of the 331705 non-bonded parameter combinations
 21: 
@@ -118133,13 +118353,13 @@
 21: Note that mdrun will redetermine rlist based on the actual pair-list setup
 21: 
 21: This run will generate roughly 0 Mb of data
-21: [       OK ] PlumedOptionsTest.setTopology (899 ms)
-21: [----------] 8 tests from PlumedOptionsTest (902 ms total)
+21: [       OK ] PlumedOptionsTest.setTopology (221 ms)
+21: [----------] 8 tests from PlumedOptionsTest (222 ms total)
 21: 
 21: [----------] Global test environment tear-down
-21: [==========] 8 tests from 1 test suite ran. (903 ms total)
+21: [==========] 8 tests from 1 test suite ran. (222 ms total)
 21: [  PASSED  ] 8 tests.
-21/92 Test #21: PlumedAppliedForcesUnitTests ..............   Passed    0.94 sec
+21/92 Test #21: PlumedAppliedForcesUnitTests ..............   Passed    0.24 sec
 test 22
       Start 22: PlumedMDTests
 
@@ -118160,12 +118380,12 @@
 22: [----------] 2 tests from SimplePlumedMD/PlumedRun (0 ms total)
 22: 
 22: [----------] Global test environment tear-down
-22: [==========] 2 tests from 1 test suite ran. (15 ms total)
+22: [==========] 2 tests from 1 test suite ran. (6 ms total)
 22: [  PASSED  ] 0 tests.
 22: [  SKIPPED ] 2 tests, listed below:
 22: [  SKIPPED ] SimplePlumedMD/PlumedRun.PlumedSees/0
 22: [  SKIPPED ] SimplePlumedMD/PlumedRun.PlumedDoes/0
-22/92 Test #22: PlumedMDTests .............................   Passed    0.05 sec
+22/92 Test #22: PlumedMDTests .............................   Passed    0.02 sec
 test 23
       Start 23: NNPotAppliedForcesUnitTest
 
@@ -118190,7 +118410,7 @@
 23: [       OK ] NNPotOptionsTest.OutputDefaultValuesWhenActive (0 ms)
 23: [ RUN      ] NNPotOptionsTest.InternalsToKvtAndBack
 23: [       OK ] NNPotOptionsTest.InternalsToKvtAndBack (0 ms)
-23: [----------] 5 tests from NNPotOptionsTest (2 ms total)
+23: [----------] 5 tests from NNPotOptionsTest (0 ms total)
 23: 
 23: [----------] 5 tests from NNPotTopologyPreprocessorTest
 23: [ RUN      ] NNPotTopologyPreprocessorTest.CanConstruct
@@ -118219,7 +118439,7 @@
 23: There were 3 NOTEs
 23: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_FourWatersFirstInQMRegion_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 23: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_FourWatersFirstInQMRegion_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-23: Setting the LD random seed to 2147352575
+23: Setting the LD random seed to -79769729
 23: 
 23: Generated 10 of the 10 non-bonded parameter combinations
 23: 
@@ -118232,7 +118452,7 @@
 23: There are:     4      Water residues
 23: 
 23: This run will generate roughly 0 Mb of data
-23: [       OK ] NNPotTopologyPreprocessorTest.FourWatersFirstInQMRegion (4 ms)
+23: [       OK ] NNPotTopologyPreprocessorTest.FourWatersFirstInQMRegion (2 ms)
 23: [ RUN      ] NNPotTopologyPreprocessorTest.FourWatersSecondAndFourthInQMRegion
 23: 
 23: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_FourWatersSecondAndFourthInQMRegion_4water.mdp]:
@@ -118257,7 +118477,7 @@
 23: There were 3 NOTEs
 23: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_FourWatersSecondAndFourthInQMRegion_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 23: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_FourWatersSecondAndFourthInQMRegion_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-23: Setting the LD random seed to -2531393
+23: Setting the LD random seed to -2020624395
 23: 
 23: Generated 10 of the 10 non-bonded parameter combinations
 23: 
@@ -118270,7 +118490,7 @@
 23: There are:     4      Water residues
 23: 
 23: This run will generate roughly 0 Mb of data
-23: [       OK ] NNPotTopologyPreprocessorTest.FourWatersSecondAndFourthInQMRegion (4 ms)
+23: [       OK ] NNPotTopologyPreprocessorTest.FourWatersSecondAndFourthInQMRegion (2 ms)
 23: [ RUN      ] NNPotTopologyPreprocessorTest.AlanineDipeptideWithLinkAtomsNoConstraints
 23: 
 23: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_AlanineDipeptideWithLinkAtomsNoConstraints_alanine_vacuo.mdp]:
@@ -118295,7 +118515,7 @@
 23: There were 3 NOTEs
 23: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_AlanineDipeptideWithLinkAtomsNoConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 23: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_AlanineDipeptideWithLinkAtomsNoConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-23: Setting the LD random seed to 1472036347
+23: Setting the LD random seed to -289702145
 23: 
 23: Generated 2145 of the 2145 non-bonded parameter combinations
 23: 
@@ -118317,7 +118537,7 @@
 23: Note that mdrun will redetermine rlist based on the actual pair-list setup
 23: 
 23: This run will generate roughly 0 Mb of data
-23: [       OK ] NNPotTopologyPreprocessorTest.AlanineDipeptideWithLinkAtomsNoConstraints (26 ms)
+23: [       OK ] NNPotTopologyPreprocessorTest.AlanineDipeptideWithLinkAtomsNoConstraints (7 ms)
 23: [ RUN      ] NNPotTopologyPreprocessorTest.AlanineDipeptideWithLinkAtomsWithConstraints
 23: 
 23: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_AlanineDipeptideWithLinkAtomsWithConstraints_alanine_vacuo.mdp]:
@@ -118353,7 +118573,7 @@
 23: There were 5 NOTEs
 23: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_AlanineDipeptideWithLinkAtomsWithConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 23: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_AlanineDipeptideWithLinkAtomsWithConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-23: Setting the LD random seed to 2122208763
+23: Setting the LD random seed to 2132213567
 23: 
 23: Generated 2145 of the 2145 non-bonded parameter combinations
 23: 
@@ -118377,8 +118597,8 @@
 23: Note that mdrun will redetermine rlist based on the actual pair-list setup
 23: 
 23: This run will generate roughly 0 Mb of data
-23: [       OK ] NNPotTopologyPreprocessorTest.AlanineDipeptideWithLinkAtomsWithConstraints (19 ms)
-23: [----------] 5 tests from NNPotTopologyPreprocessorTest (56 ms total)
+23: [       OK ] NNPotTopologyPreprocessorTest.AlanineDipeptideWithLinkAtomsWithConstraints (8 ms)
+23: [----------] 5 tests from NNPotTopologyPreprocessorTest (21 ms total)
 23: 
 23: [----------] 1 test from NNPotForceProviderTest
 23: [ RUN      ] NNPotForceProviderTest.CanConstruct
@@ -118386,9 +118606,9 @@
 23: [----------] 1 test from NNPotForceProviderTest (0 ms total)
 23: 
 23: [----------] Global test environment tear-down
-23: [==========] 12 tests from 4 test suites ran. (65 ms total)
+23: [==========] 12 tests from 4 test suites ran. (22 ms total)
 23: [  PASSED  ] 12 tests.
-23/92 Test #23: NNPotAppliedForcesUnitTest ................   Passed    0.10 sec
+23/92 Test #23: NNPotAppliedForcesUnitTest ................   Passed    0.04 sec
 test 24
       Start 24: AppliedForcesUnitTest
 
@@ -118467,7 +118687,7 @@
 25: [       OK ] Bond/ListedForcesTest.Ifunc/22 (0 ms)
 25: [ RUN      ] Bond/ListedForcesTest.Ifunc/23
 25: [       OK ] Bond/ListedForcesTest.Ifunc/23 (0 ms)
-25: [----------] 24 tests from Bond/ListedForcesTest (19 ms total)
+25: [----------] 24 tests from Bond/ListedForcesTest (3 ms total)
 25: 
 25: [----------] 33 tests from Angle/ListedForcesTest
 25: [ RUN      ] Angle/ListedForcesTest.Ifunc/0
@@ -118536,7 +118756,7 @@
 25: [       OK ] Angle/ListedForcesTest.Ifunc/31 (0 ms)
 25: [ RUN      ] Angle/ListedForcesTest.Ifunc/32
 25: [       OK ] Angle/ListedForcesTest.Ifunc/32 (0 ms)
-25: [----------] 33 tests from Angle/ListedForcesTest (23 ms total)
+25: [----------] 33 tests from Angle/ListedForcesTest (4 ms total)
 25: 
 25: [----------] 18 tests from Dihedral/ListedForcesTest
 25: [ RUN      ] Dihedral/ListedForcesTest.Ifunc/0
@@ -118575,7 +118795,7 @@
 25: [       OK ] Dihedral/ListedForcesTest.Ifunc/16 (0 ms)
 25: [ RUN      ] Dihedral/ListedForcesTest.Ifunc/17
 25: [       OK ] Dihedral/ListedForcesTest.Ifunc/17 (0 ms)
-25: [----------] 18 tests from Dihedral/ListedForcesTest (13 ms total)
+25: [----------] 18 tests from Dihedral/ListedForcesTest (2 ms total)
 25: 
 25: [----------] 12 tests from Polarize/ListedForcesTest
 25: [ RUN      ] Polarize/ListedForcesTest.Ifunc/0
@@ -118602,7 +118822,7 @@
 25: [       OK ] Polarize/ListedForcesTest.Ifunc/10 (0 ms)
 25: [ RUN      ] Polarize/ListedForcesTest.Ifunc/11
 25: [       OK ] Polarize/ListedForcesTest.Ifunc/11 (0 ms)
-25: [----------] 12 tests from Polarize/ListedForcesTest (4 ms total)
+25: [----------] 12 tests from Polarize/ListedForcesTest (0 ms total)
 25: 
 25: [----------] 18 tests from Restraints/ListedForcesTest
 25: [ RUN      ] Restraints/ListedForcesTest.Ifunc/0
@@ -118641,7 +118861,7 @@
 25: [       OK ] Restraints/ListedForcesTest.Ifunc/16 (0 ms)
 25: [ RUN      ] Restraints/ListedForcesTest.Ifunc/17
 25: [       OK ] Restraints/ListedForcesTest.Ifunc/17 (0 ms)
-25: [----------] 18 tests from Restraints/ListedForcesTest (9 ms total)
+25: [----------] 18 tests from Restraints/ListedForcesTest (2 ms total)
 25: 
 25: [----------] 3 tests from BondZeroLength/ListedForcesTest
 25: [ RUN      ] BondZeroLength/ListedForcesTest.Ifunc/0
@@ -118650,7 +118870,7 @@
 25: [       OK ] BondZeroLength/ListedForcesTest.Ifunc/1 (0 ms)
 25: [ RUN      ] BondZeroLength/ListedForcesTest.Ifunc/2
 25: [       OK ] BondZeroLength/ListedForcesTest.Ifunc/2 (0 ms)
-25: [----------] 3 tests from BondZeroLength/ListedForcesTest (1 ms total)
+25: [----------] 3 tests from BondZeroLength/ListedForcesTest (0 ms total)
 25: 
 25: [----------] 3 tests from AngleZero/ListedForcesTest
 25: [ RUN      ] AngleZero/ListedForcesTest.Ifunc/0
@@ -118663,7 +118883,7 @@
 25: 
 25: [----------] 12 tests from 14Interaction/ListedForcesPairsTest
 25: [ RUN      ] 14Interaction/ListedForcesPairsTest.Ifunc/0
-25: [       OK ] 14Interaction/ListedForcesPairsTest.Ifunc/0 (1 ms)
+25: [       OK ] 14Interaction/ListedForcesPairsTest.Ifunc/0 (0 ms)
 25: [ RUN      ] 14Interaction/ListedForcesPairsTest.Ifunc/1
 25: [       OK ] 14Interaction/ListedForcesPairsTest.Ifunc/1 (0 ms)
 25: [ RUN      ] 14Interaction/ListedForcesPairsTest.Ifunc/2
@@ -118686,11 +118906,11 @@
 25: [       OK ] 14Interaction/ListedForcesPairsTest.Ifunc/10 (0 ms)
 25: [ RUN      ] 14Interaction/ListedForcesPairsTest.Ifunc/11
 25: [       OK ] 14Interaction/ListedForcesPairsTest.Ifunc/11 (0 ms)
-25: [----------] 12 tests from 14Interaction/ListedForcesPairsTest (6 ms total)
+25: [----------] 12 tests from 14Interaction/ListedForcesPairsTest (1 ms total)
 25: 
 25: [----------] 9 tests from PosResBasicTest/PositionRestraintsTest
 25: [ RUN      ] PosResBasicTest/PositionRestraintsTest.BasicPosResNoFreeEnergy/0
-25: [       OK ] PosResBasicTest/PositionRestraintsTest.BasicPosResNoFreeEnergy/0 (4 ms)
+25: [       OK ] PosResBasicTest/PositionRestraintsTest.BasicPosResNoFreeEnergy/0 (0 ms)
 25: [ RUN      ] PosResBasicTest/PositionRestraintsTest.BasicPosResNoFreeEnergy/1
 25: [       OK ] PosResBasicTest/PositionRestraintsTest.BasicPosResNoFreeEnergy/1 (0 ms)
 25: [ RUN      ] PosResBasicTest/PositionRestraintsTest.BasicPosResNoFreeEnergy/2
@@ -118707,12 +118927,12 @@
 25: [       OK ] PosResBasicTest/PositionRestraintsTest.BasicPosResNoFreeEnergy/7 (0 ms)
 25: [ RUN      ] PosResBasicTest/PositionRestraintsTest.BasicPosResNoFreeEnergy/8
 25: [       OK ] PosResBasicTest/PositionRestraintsTest.BasicPosResNoFreeEnergy/8 (0 ms)
-25: [----------] 9 tests from PosResBasicTest/PositionRestraintsTest (7 ms total)
+25: [----------] 9 tests from PosResBasicTest/PositionRestraintsTest (0 ms total)
 25: 
 25: [----------] Global test environment tear-down
-25: [==========] 132 tests from 9 test suites ran. (89 ms total)
+25: [==========] 132 tests from 9 test suites ran. (17 ms total)
 25: [  PASSED  ] 132 tests.
-25/92 Test #25: ListedForcesTest ..........................   Passed    0.13 sec
+25/92 Test #25: ListedForcesTest ..........................   Passed    0.04 sec
 test 26
       Start 26: NbnxmTests
 
@@ -118784,7 +119004,7 @@
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwCutCombGeom
 26: ./src/gromacs/nbnxm/tests/kernel_test.cpp:540: Skipped
 26: There are no combination rule versions of the plain-C kernel
-26: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwCutCombGeom (4 ms)
+26: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwCutCombGeom (0 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombGeom
 26: ./src/gromacs/nbnxm/tests/kernel_test.cpp:540: Skipped
 26: There are no combination rule versions of the plain-C kernel
@@ -118802,25 +119022,25 @@
 26: There are no combination rule versions of the plain-C kernel
 26: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombLB (0 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwCutCombNone (5 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwCutCombNone (4 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwCutCombNone (6 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwCutCombNone (4 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombNone (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombNone (3 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwForceSwitch (9 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwForceSwitch (3 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwForceSwitch (6 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwForceSwitch (3 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwForceSwitch (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwForceSwitch (3 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwPotSwitch (9 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwPotSwitch (3 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwPotSwitch (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwPotSwitch (3 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwPotSwitch (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwPotSwitch (3 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwEwaldCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwEwaldCombGeom (5 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwEwaldCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwEwaldCombGeom
@@ -118994,27 +119214,27 @@
 26: There are no combination rule versions of the plain-C kernel
 26: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwCutCombLB (0 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwCutCombNone (4 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwCutCombNone (3 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwCutCombNone
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwCutCombNone (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwCutCombNone
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwCutCombNone (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwForceSwitch (9 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwForceSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwForceSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwForceSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwForceSwitch (3 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwForceSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwPotSwitch (4 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwPotSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwPotSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwPotSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwPotSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwPotSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwEwaldCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwEwaldCombGeom (4 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwEwaldCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwEwaldCombGeom (6 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwEwaldCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwCutCombGeom
@@ -119042,25 +119262,25 @@
 26: There are no combination rule versions of the plain-C kernel
 26: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombLB (0 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwCutCombNone (4 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwCutCombNone (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwCutCombNone (6 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwCutCombNone (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombNone
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombNone (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwForceSwitch (9 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwForceSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwForceSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwForceSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwForceSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwForceSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwPotSwitch (4 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwPotSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwPotSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwPotSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwPotSwitch (6 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwPotSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwEwaldCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwEwaldCombGeom (6 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwEwaldCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom
@@ -119092,7 +119312,7 @@
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_NoEnergies_CoulombReactionField_VdwCutCombNone
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_NoEnergies_CoulombReactionField_VdwCutCombNone (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_Energies_CoulombReactionField_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_Energies_CoulombReactionField_VdwCutCombNone (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_Energies_CoulombReactionField_VdwCutCombNone (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombNone
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombNone (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_NoEnergies_CoulombReactionField_VdwForceSwitch
@@ -119102,7 +119322,7 @@
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwForceSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwForceSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_NoEnergies_CoulombReactionField_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_NoEnergies_CoulombReactionField_VdwPotSwitch (3 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_NoEnergies_CoulombReactionField_VdwPotSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_Energies_CoulombReactionField_VdwPotSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_Energies_CoulombReactionField_VdwPotSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwPotSwitch
@@ -119288,23 +119508,23 @@
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwald_VdwCutCombNone
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwald_VdwCutCombNone (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwald_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwald_VdwForceSwitch (3 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwald_VdwForceSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_Energies_CoulombEwald_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_Energies_CoulombEwald_VdwForceSwitch (6 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_Energies_CoulombEwald_VdwForceSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwald_VdwForceSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwald_VdwForceSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwald_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwald_VdwPotSwitch (3 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwald_VdwPotSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_Energies_CoulombEwald_VdwPotSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_Energies_CoulombEwald_VdwPotSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwald_VdwPotSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwald_VdwPotSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwald_VdwEwaldCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwald_VdwEwaldCombGeom (3 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwald_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_Energies_CoulombEwald_VdwEwaldCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_Energies_CoulombEwald_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwald_VdwEwaldCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwald_VdwEwaldCombGeom (6 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwald_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwaldTwin_VdwCutCombGeom
 26: ./src/gromacs/nbnxm/tests/kernel_test.cpp:540: Skipped
 26: There are no combination rule versions of the plain-C kernel
@@ -119336,31 +119556,31 @@
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombNone
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombNone (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwaldTwin_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwaldTwin_VdwForceSwitch (9 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwaldTwin_VdwForceSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_Energies_CoulombEwaldTwin_VdwForceSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_Energies_CoulombEwaldTwin_VdwForceSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwForceSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwForceSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwaldTwin_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwaldTwin_VdwPotSwitch (3 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwaldTwin_VdwPotSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_Energies_CoulombEwaldTwin_VdwPotSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_Energies_CoulombEwaldTwin_VdwPotSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwPotSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwPotSwitch (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwaldTwin_VdwEwaldCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwaldTwin_VdwEwaldCombGeom (9 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_NoEnergies_CoulombEwaldTwin_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_Energies_CoulombEwaldTwin_VdwEwaldCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_Energies_CoulombEwaldTwin_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwCutCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwCutCombGeom (3 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwCutCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombReactionField_VdwCutCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombReactionField_VdwCutCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwCutCombLB
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwCutCombLB (8 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwCutCombLB (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombReactionField_VdwCutCombLB
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombReactionField_VdwCutCombLB (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombLB
@@ -119372,15 +119592,15 @@
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombNone
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombNone (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwForceSwitch (6 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwForceSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombReactionField_VdwForceSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombReactionField_VdwForceSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwForceSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwForceSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwPotSwitch (3 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwPotSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombReactionField_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombReactionField_VdwPotSwitch (3 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombReactionField_VdwPotSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwPotSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwPotSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwEwaldCombGeom
@@ -119390,77 +119610,77 @@
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwEwaldCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwEwaldCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwCutCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwCutCombGeom (9 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwCutCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwald_VdwCutCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwald_VdwCutCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwald_VdwCutCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwald_VdwCutCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwCutCombLB
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwCutCombLB (4 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwCutCombLB (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwald_VdwCutCombLB
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwald_VdwCutCombLB (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwald_VdwCutCombLB
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwald_VdwCutCombLB (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwCutCombNone (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwCutCombNone (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwald_VdwCutCombNone
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwald_VdwCutCombNone (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwald_VdwCutCombNone
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwald_VdwCutCombNone (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwForceSwitch (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwForceSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwald_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwald_VdwForceSwitch (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwald_VdwForceSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwald_VdwForceSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwald_VdwForceSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwPotSwitch (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwPotSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwald_VdwPotSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwald_VdwPotSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwald_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwald_VdwPotSwitch (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwald_VdwPotSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwEwaldCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwald_VdwEwaldCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwald_VdwEwaldCombGeom (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwald_VdwEwaldCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwald_VdwEwaldCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwald_VdwEwaldCombGeom (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwald_VdwEwaldCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwCutCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwCutCombGeom (3 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwCutCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwaldTwin_VdwCutCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwaldTwin_VdwCutCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwCutCombLB
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwCutCombLB (3 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwCutCombLB (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwaldTwin_VdwCutCombLB
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwaldTwin_VdwCutCombLB (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombLB
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombLB (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwCutCombNone (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwCutCombNone (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwaldTwin_VdwCutCombNone
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwaldTwin_VdwCutCombNone (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombNone
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombNone (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwForceSwitch (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwForceSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwaldTwin_VdwForceSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwaldTwin_VdwForceSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwaldTwin_VdwForceSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwaldTwin_VdwForceSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwPotSwitch (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwPotSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwaldTwin_VdwPotSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwaldTwin_VdwPotSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwaldTwin_VdwPotSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwaldTwin_VdwPotSwitch (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwaldTwin_VdwPotSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwEwaldCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwEwaldCombGeom (2 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwaldTwin_VdwEwaldCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwaldTwin_VdwEwaldCombGeom (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwaldTwin_VdwEwaldCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwald_VdwCutCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwald_VdwCutCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_Energies_CoulombEwald_VdwCutCombGeom
@@ -119474,13 +119694,13 @@
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwald_VdwCutCombLB
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwald_VdwCutCombLB (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwald_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwald_VdwCutCombNone (8 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwald_VdwCutCombNone (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_Energies_CoulombEwald_VdwCutCombNone
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_Energies_CoulombEwald_VdwCutCombNone (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwald_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwald_VdwCutCombNone (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwald_VdwCutCombNone (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwald_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwald_VdwForceSwitch (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwald_VdwForceSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_Energies_CoulombEwald_VdwForceSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_Energies_CoulombEwald_VdwForceSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwald_VdwForceSwitch
@@ -119492,31 +119712,31 @@
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwald_VdwPotSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwald_VdwPotSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwald_VdwEwaldCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwald_VdwEwaldCombGeom (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwald_VdwEwaldCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_Energies_CoulombEwald_VdwEwaldCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_Energies_CoulombEwald_VdwEwaldCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwald_VdwEwaldCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwald_VdwEwaldCombGeom (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwald_VdwEwaldCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwaldTwin_VdwCutCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwaldTwin_VdwCutCombGeom (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwaldTwin_VdwCutCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_Energies_CoulombEwaldTwin_VdwCutCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_Energies_CoulombEwaldTwin_VdwCutCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombGeom
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwaldTwin_VdwCutCombLB
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwaldTwin_VdwCutCombLB (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwaldTwin_VdwCutCombLB (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_Energies_CoulombEwaldTwin_VdwCutCombLB
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_Energies_CoulombEwaldTwin_VdwCutCombLB (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombLB
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombLB (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwaldTwin_VdwCutCombNone
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwaldTwin_VdwCutCombNone (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwaldTwin_VdwCutCombNone (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_Energies_CoulombEwaldTwin_VdwCutCombNone
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_Energies_CoulombEwaldTwin_VdwCutCombNone (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombNone
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombNone (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwaldTwin_VdwForceSwitch
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwaldTwin_VdwForceSwitch (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwaldTwin_VdwForceSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_Energies_CoulombEwaldTwin_VdwForceSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_Energies_CoulombEwaldTwin_VdwForceSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwForceSwitch
@@ -119528,11 +119748,11 @@
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwPotSwitch
 26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwPotSwitch (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwaldTwin_VdwEwaldCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwaldTwin_VdwEwaldCombGeom (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_NoEnergies_CoulombEwaldTwin_VdwEwaldCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_Energies_CoulombEwaldTwin_VdwEwaldCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_Energies_CoulombEwaldTwin_VdwEwaldCombGeom (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_Energies_CoulombEwaldTwin_VdwEwaldCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom
-26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom (2 ms)
+26: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom (1 ms)
 26: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD2xMM_TabNo_NoEnergies_CoulombReactionField_VdwCutCombGeom
 26: ./src/gromacs/nbnxm/tests/kernel_test.cpp:520: Skipped
 26: Cannot test or generate data for 2xNN kernels without suitable SIMD support
@@ -119893,10 +120113,10 @@
 26: ./src/gromacs/nbnxm/tests/kernel_test.cpp:520: Skipped
 26: Cannot test or generate data for 2xNN kernels without suitable SIMD support
 26: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD2xMM_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom (0 ms)
-26: [----------] 360 tests from Combinations/NbnxmKernelTest (807 ms total)
+26: [----------] 360 tests from Combinations/NbnxmKernelTest (399 ms total)
 26: 
 26: [----------] Global test environment tear-down
-26: [==========] 383 tests from 4 test suites ran. (808 ms total)
+26: [==========] 383 tests from 4 test suites ran. (400 ms total)
 26: [  PASSED  ] 185 tests.
 26: [  SKIPPED ] 198 tests, listed below:
 26: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwCutCombGeom
@@ -120097,7 +120317,7 @@
 26: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD2xMM_TabYes_NoEnergies_CoulombEwaldTwin_VdwEwaldCombGeom
 26: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD2xMM_TabYes_Energies_CoulombEwaldTwin_VdwEwaldCombGeom
 26: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD2xMM_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom
-26/92 Test #26: NbnxmTests ................................   Passed    0.86 sec
+26/92 Test #26: NbnxmTests ................................   Passed    0.43 sec
 test 27
       Start 27: NbnxmGpuTests
 
@@ -120105,9 +120325,9 @@
 27: Working Directory: /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/nbnxm/tests
 27: Test timeout computed to be: 30
 27: [==========] Running 0 tests from 0 test suites.
-27: [==========] 0 tests from 0 test suites ran. (3 ms total)
+27: [==========] 0 tests from 0 test suites ran. (0 ms total)
 27: [  PASSED  ] 0 tests.
-27/92 Test #27: NbnxmGpuTests .............................   Passed    0.04 sec
+27/92 Test #27: NbnxmGpuTests .............................   Passed    0.02 sec
 test 28
       Start 28: CommandLineUnitTests
 
@@ -120118,16 +120338,16 @@
 28: [----------] Global test environment set-up.
 28: [----------] 3 tests from CommandLineHelpModuleTest
 28: [ RUN      ] CommandLineHelpModuleTest.PrintsGeneralHelp
-28: [       OK ] CommandLineHelpModuleTest.PrintsGeneralHelp (8 ms)
+28: [       OK ] CommandLineHelpModuleTest.PrintsGeneralHelp (0 ms)
 28: [ RUN      ] CommandLineHelpModuleTest.PrintsHelpOnTopic
 28: [       OK ] CommandLineHelpModuleTest.PrintsHelpOnTopic (0 ms)
 28: [ RUN      ] CommandLineHelpModuleTest.ExportsHelp
 28: [       OK ] CommandLineHelpModuleTest.ExportsHelp (0 ms)
-28: [----------] 3 tests from CommandLineHelpModuleTest (9 ms total)
+28: [----------] 3 tests from CommandLineHelpModuleTest (1 ms total)
 28: 
 28: [----------] 7 tests from CommandLineHelpWriterTest
 28: [ RUN      ] CommandLineHelpWriterTest.HandlesOptionTypes
-28: [       OK ] CommandLineHelpWriterTest.HandlesOptionTypes (1 ms)
+28: [       OK ] CommandLineHelpWriterTest.HandlesOptionTypes (0 ms)
 28: [ RUN      ] CommandLineHelpWriterTest.HandlesDefaultValuesFromVariables
 28: [       OK ] CommandLineHelpWriterTest.HandlesDefaultValuesFromVariables (0 ms)
 28: [ RUN      ] CommandLineHelpWriterTest.HandlesLongFileOptions
@@ -120140,7 +120360,7 @@
 28: [       OK ] CommandLineHelpWriterTest.HandlesHelpText (0 ms)
 28: [ RUN      ] CommandLineHelpWriterTest.HandlesKnownIssues
 28: [       OK ] CommandLineHelpWriterTest.HandlesKnownIssues (0 ms)
-28: [----------] 7 tests from CommandLineHelpWriterTest (3 ms total)
+28: [----------] 7 tests from CommandLineHelpWriterTest (0 ms total)
 28: 
 28: [----------] 6 tests from CommandLineModuleManagerTest
 28: [ RUN      ] CommandLineModuleManagerTest.RunsModule
@@ -120155,7 +120375,7 @@
 28: [       OK ] CommandLineModuleManagerTest.RunsModuleHelpWithDashHWithSingleModule (0 ms)
 28: [ RUN      ] CommandLineModuleManagerTest.HandlesConflictingBinaryAndModuleNames
 28: [       OK ] CommandLineModuleManagerTest.HandlesConflictingBinaryAndModuleNames (0 ms)
-28: [----------] 6 tests from CommandLineModuleManagerTest (4 ms total)
+28: [----------] 6 tests from CommandLineModuleManagerTest (0 ms total)
 28: 
 28: [----------] 13 tests from CommandLineParserTest
 28: [ RUN      ] CommandLineParserTest.HandlesSingleValues
@@ -120184,7 +120404,7 @@
 28: [       OK ] CommandLineParserTest.CanAllowPositionalArguments (0 ms)
 28: [ RUN      ] CommandLineParserTest.CannotHavePositionalArgumentsAfterOptions
 28: [       OK ] CommandLineParserTest.CannotHavePositionalArgumentsAfterOptions (0 ms)
-28: [----------] 13 tests from CommandLineParserTest (1 ms total)
+28: [----------] 13 tests from CommandLineParserTest (0 ms total)
 28: 
 28: [----------] 6 tests from CommandLineProgramContextTest
 28: [ RUN      ] CommandLineProgramContextTest.FindsBinaryWithAbsolutePath
@@ -120256,12 +120476,12 @@
 28: [       OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName (0 ms)
 28: [ RUN      ] ParseCommonArgsTest.CanKeepUnknownArgs
 28: [       OK ] ParseCommonArgsTest.CanKeepUnknownArgs (0 ms)
-28: [----------] 22 tests from ParseCommonArgsTest (5 ms total)
+28: [----------] 22 tests from ParseCommonArgsTest (1 ms total)
 28: 
 28: [----------] Global test environment tear-down
-28: [==========] 60 tests from 7 test suites ran. (25 ms total)
+28: [==========] 60 tests from 7 test suites ran. (4 ms total)
 28: [  PASSED  ] 60 tests.
-28/92 Test #28: CommandLineUnitTests ......................   Passed    0.05 sec
+28/92 Test #28: CommandLineUnitTests ......................   Passed    0.02 sec
 test 29
       Start 29: DomDecTests
 
@@ -120297,7 +120517,7 @@
 29: [----------] Global test environment tear-down
 29: [==========] 9 tests from 2 test suites ran. (0 ms total)
 29: [  PASSED  ] 9 tests.
-29/92 Test #29: DomDecTests ...............................   Passed    0.02 sec
+29/92 Test #29: DomDecTests ...............................   Passed    0.01 sec
 test 30
       Start 30: DomDecMpiTests
 
@@ -120308,19 +120528,19 @@
 30: [----------] Global test environment set-up.
 30: [----------] 4 tests from HaloExchangeTest
 30: [ RUN      ] HaloExchangeTest.Coordinates1dHaloWith1Pulse
-30: [       OK ] HaloExchangeTest.Coordinates1dHaloWith1Pulse (16 ms)
+30: [       OK ] HaloExchangeTest.Coordinates1dHaloWith1Pulse (0 ms)
 30: [ RUN      ] HaloExchangeTest.Coordinates1dHaloWith2Pulses
-30: [       OK ] HaloExchangeTest.Coordinates1dHaloWith2Pulses (27 ms)
+30: [       OK ] HaloExchangeTest.Coordinates1dHaloWith2Pulses (0 ms)
 30: [ RUN      ] HaloExchangeTest.Coordinates2dHaloWith1PulseInEachDim
-30: [       OK ] HaloExchangeTest.Coordinates2dHaloWith1PulseInEachDim (39 ms)
+30: [       OK ] HaloExchangeTest.Coordinates2dHaloWith1PulseInEachDim (1 ms)
 30: [ RUN      ] HaloExchangeTest.Coordinates2dHaloWith2PulsesInDim1
-30: [       OK ] HaloExchangeTest.Coordinates2dHaloWith2PulsesInDim1 (32 ms)
-30: [----------] 4 tests from HaloExchangeTest (120 ms total)
+30: [       OK ] HaloExchangeTest.Coordinates2dHaloWith2PulsesInDim1 (0 ms)
+30: [----------] 4 tests from HaloExchangeTest (2 ms total)
 30: 
 30: [----------] Global test environment tear-down
-30: [==========] 4 tests from 1 test suite ran. (120 ms total)
+30: [==========] 4 tests from 1 test suite ran. (2 ms total)
 30: [  PASSED  ] 4 tests.
-30/92 Test #30: DomDecMpiTests ............................   Passed    0.14 sec
+30/92 Test #30: DomDecMpiTests ............................   Passed    0.02 sec
 test 31
       Start 31: EwaldUnitTests
 
@@ -120346,7 +120566,7 @@
 31: 
 31: [----------] 108 tests from Pme_SplineAndSpreadTest
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_1_atom_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_1_atom_spline (15 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_1_atom_spline (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_1_atom_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_1_atom_spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_1_atom_fused spline and spread
@@ -120358,13 +120578,13 @@
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_2_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_2_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_spline (0 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_spline (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_1_atom_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_1_atom_spline (2 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_1_atom_spline (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_1_atom_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_1_atom_spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_1_atom_fused spline and spread
@@ -120376,13 +120596,13 @@
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_2_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_2_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_13_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_13_atoms_spline (2 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_13_atoms_spline (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_13_atoms_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_13_atoms_spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_13_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_13_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_1_atom_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_1_atom_spline (4 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_1_atom_spline (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_1_atom_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_1_atom_spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_1_atom_fused spline and spread
@@ -120394,13 +120614,13 @@
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_2_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_2_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_spline (2 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_spline (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_spread (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_fused spline and spread (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_1_atom_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_1_atom_spline (6 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_1_atom_spline (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_1_atom_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_1_atom_spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_1_atom_fused spline and spread
@@ -120430,27 +120650,27 @@
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_2_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_2_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_spline (3 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_spline (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_spread (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_fused spline and spread (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_1_atom_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_1_atom_spline (1 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_1_atom_spline (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_1_atom_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_1_atom_spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_1_atom_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_1_atom_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_2_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_2_atoms_spline (1 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_2_atoms_spline (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_2_atoms_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_2_atoms_spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_2_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_2_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_spline (3 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_spline (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_spread
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_spread (2 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_spread (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_fused spline and spread (2 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_16_12_14_system_1_atom_spline
@@ -120466,7 +120686,7 @@
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_16_12_14_system_2_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_16_12_14_system_2_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_16_12_14_system_13_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_16_12_14_system_13_atoms_spline (1 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_16_12_14_system_13_atoms_spline (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_16_12_14_system_13_atoms_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_16_12_14_system_13_atoms_spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_16_12_14_system_13_atoms_fused spline and spread
@@ -120484,9 +120704,9 @@
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_2_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_2_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_spline (1 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_spline (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_spread
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_spread (1 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_1_atom_spline
@@ -120496,15 +120716,15 @@
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_1_atom_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_1_atom_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_2_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_2_atoms_spline (1 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_2_atoms_spline (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_2_atoms_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_2_atoms_spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_2_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_2_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_13_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_13_atoms_spline (2 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_13_atoms_spline (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_13_atoms_spread
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_13_atoms_spread (1 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_13_atoms_spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_13_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_13_atoms_fused spline and spread (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_1_atom_spline
@@ -120520,7 +120740,7 @@
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_2_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_2_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_13_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_13_atoms_spline (2 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_13_atoms_spline (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_13_atoms_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_13_atoms_spread (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_13_atoms_fused spline and spread
@@ -120532,13 +120752,13 @@
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_1_atom_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_1_atom_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_2_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_2_atoms_spline (3 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_2_atoms_spline (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_2_atoms_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_2_atoms_spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_2_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_2_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_spline (3 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_spline (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_spread (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_fused spline and spread
@@ -120550,18 +120770,18 @@
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_1_atom_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_1_atom_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_2_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_2_atoms_spline (3 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_2_atoms_spline (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_2_atoms_spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_2_atoms_spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_2_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_2_atoms_fused spline and spread (0 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_spline
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_spline (2 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_spline (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_spread
-31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_spread (2 ms)
+31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_spread (1 ms)
 31: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_fused spline and spread
 31: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_fused spline and spread (2 ms)
-31: [----------] 108 tests from Pme_SplineAndSpreadTest (237 ms total)
+31: [----------] 108 tests from Pme_SplineAndSpreadTest (77 ms total)
 31: 
 31: [----------] 64 tests from Pme_SolveTest
 31: [ RUN      ] Pme_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_XYZ_
@@ -120577,7 +120797,7 @@
 31: 
 31: [  SKIPPED ] Pme_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_XYZ_energy (0 ms)
 31: [ RUN      ] Pme_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_YZX_
-31: [       OK ] Pme_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_YZX_ (1 ms)
+31: [       OK ] Pme_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_YZX_ (0 ms)
 31: [ RUN      ] Pme_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_YZX_energy
 31: [       OK ] Pme_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_YZX_energy (0 ms)
 31: [ RUN      ] Pme_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_LJ_order_XYZ_
@@ -120820,7 +121040,7 @@
 31: [       OK ] Pme_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_2_ewaldlj_0_7_LJ_order_YZX_ (0 ms)
 31: [ RUN      ] Pme_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_2_ewaldlj_0_7_LJ_order_YZX_energy
 31: [       OK ] Pme_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_2_ewaldlj_0_7_LJ_order_YZX_energy (0 ms)
-31: [----------] 64 tests from Pme_SolveTest (28 ms total)
+31: [----------] 64 tests from Pme_SolveTest (9 ms total)
 31: 
 31: [----------] 32 tests from PmeDiffEwaldQ_SolveTest
 31: [ RUN      ] PmeDiffEwaldQ_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_0_4_ewaldlj_0_7_Coulomb_order_XYZ_
@@ -120951,7 +121171,7 @@
 31: [       OK ] PmeDiffEwaldQ_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_0_4_ewaldlj_0_7_Coulomb_order_YZX_ (0 ms)
 31: [ RUN      ] PmeDiffEwaldQ_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_0_4_ewaldlj_0_7_Coulomb_order_YZX_energy
 31: [       OK ] PmeDiffEwaldQ_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_0_4_ewaldlj_0_7_Coulomb_order_YZX_energy (0 ms)
-31: [----------] 32 tests from PmeDiffEwaldQ_SolveTest (10 ms total)
+31: [----------] 32 tests from PmeDiffEwaldQ_SolveTest (3 ms total)
 31: 
 31: [----------] 32 tests from PmeDiffEwaldLJ_SolveTest
 31: [ RUN      ] PmeDiffEwaldLJ_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_2_35_LJ_order_XYZ_
@@ -121082,7 +121302,7 @@
 31: [       OK ] PmeDiffEwaldLJ_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_2_ewaldlj_2_35_LJ_order_YZX_ (0 ms)
 31: [ RUN      ] PmeDiffEwaldLJ_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_2_ewaldlj_2_35_LJ_order_YZX_energy
 31: [       OK ] PmeDiffEwaldLJ_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_2_ewaldlj_2_35_LJ_order_YZX_energy (0 ms)
-31: [----------] 32 tests from PmeDiffEwaldLJ_SolveTest (14 ms total)
+31: [----------] 32 tests from PmeDiffEwaldLJ_SolveTest (4 ms total)
 31: 
 31: [----------] 64 tests from PmeDiffEps_SolveTest
 31: [ RUN      ] PmeDiffEps_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_9_ewaldq_2_ewaldlj_0_7_Coulomb_order_XYZ_
@@ -121160,7 +121380,7 @@
 31: Test is being skipped because:
 31:   CPU PME solve does not implement XYZ grid ordering
 31: 
-31: [  SKIPPED ] PmeDiffEps_SolveTest.WorksOnCPU_box_rect_grid_9_7_23_gridvalues_first_eps_1_9_ewaldq_2_ewaldlj_0_7_Coulomb_order_XYZ_energy (4 ms)
+31: [  SKIPPED ] PmeDiffEps_SolveTest.WorksOnCPU_box_rect_grid_9_7_23_gridvalues_first_eps_1_9_ewaldq_2_ewaldlj_0_7_Coulomb_order_XYZ_energy (0 ms)
 31: [ RUN      ] PmeDiffEps_SolveTest.WorksOnCPU_box_rect_grid_9_7_23_gridvalues_first_eps_1_9_ewaldq_2_ewaldlj_0_7_Coulomb_order_YZX_
 31: [       OK ] PmeDiffEps_SolveTest.WorksOnCPU_box_rect_grid_9_7_23_gridvalues_first_eps_1_9_ewaldq_2_ewaldlj_0_7_Coulomb_order_YZX_ (0 ms)
 31: [ RUN      ] PmeDiffEps_SolveTest.WorksOnCPU_box_rect_grid_9_7_23_gridvalues_first_eps_1_9_ewaldq_2_ewaldlj_0_7_Coulomb_order_YZX_energy
@@ -121210,7 +121430,7 @@
 31: 
 31: [  SKIPPED ] PmeDiffEps_SolveTest.WorksOnCPU_box_rect_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_XYZ_energy (0 ms)
 31: [ RUN      ] PmeDiffEps_SolveTest.WorksOnCPU_box_rect_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_YZX_
-31: [       OK ] PmeDiffEps_SolveTest.WorksOnCPU_box_rect_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_YZX_ (1 ms)
+31: [       OK ] PmeDiffEps_SolveTest.WorksOnCPU_box_rect_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_YZX_ (0 ms)
 31: [ RUN      ] PmeDiffEps_SolveTest.WorksOnCPU_box_rect_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_YZX_energy
 31: [       OK ] PmeDiffEps_SolveTest.WorksOnCPU_box_rect_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_YZX_energy (0 ms)
 31: [ RUN      ] PmeDiffEps_SolveTest.WorksOnCPU_box_tric_grid_16_12_28_gridvalues_first_eps_1_9_ewaldq_2_ewaldlj_0_7_Coulomb_order_XYZ_
@@ -121341,13 +121561,13 @@
 31: [       OK ] PmeDiffEps_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_YZX_ (0 ms)
 31: [ RUN      ] PmeDiffEps_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_YZX_energy
 31: [       OK ] PmeDiffEps_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_YZX_energy (0 ms)
-31: [----------] 64 tests from PmeDiffEps_SolveTest (26 ms total)
+31: [----------] 64 tests from PmeDiffEps_SolveTest (8 ms total)
 31: 
 31: [----------] 72 tests from Pme_GatherTest
 31: [ RUN      ] Pme_GatherTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_gridvalues_first_system_1_atom
 31: [       OK ] Pme_GatherTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_gridvalues_first_system_1_atom (0 ms)
 31: [ RUN      ] Pme_GatherTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_gridvalues_first_system_2_atoms
-31: [       OK ] Pme_GatherTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_gridvalues_first_system_2_atoms (1 ms)
+31: [       OK ] Pme_GatherTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_gridvalues_first_system_2_atoms (0 ms)
 31: [ RUN      ] Pme_GatherTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_gridvalues_first_system_13_atoms
 31: [       OK ] Pme_GatherTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_gridvalues_first_system_13_atoms (0 ms)
 31: [ RUN      ] Pme_GatherTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_gridvalues_second_system_1_atom
@@ -121383,7 +121603,7 @@
 31: [ RUN      ] Pme_GatherTest.WorksOn_CPU_box_rect_order_4_grid_13_15_11_gridvalues_first_system_1_atom
 31: [       OK ] Pme_GatherTest.WorksOn_CPU_box_rect_order_4_grid_13_15_11_gridvalues_first_system_1_atom (0 ms)
 31: [ RUN      ] Pme_GatherTest.WorksOn_CPU_box_rect_order_4_grid_13_15_11_gridvalues_first_system_2_atoms
-31: [       OK ] Pme_GatherTest.WorksOn_CPU_box_rect_order_4_grid_13_15_11_gridvalues_first_system_2_atoms (2 ms)
+31: [       OK ] Pme_GatherTest.WorksOn_CPU_box_rect_order_4_grid_13_15_11_gridvalues_first_system_2_atoms (0 ms)
 31: [ RUN      ] Pme_GatherTest.WorksOn_CPU_box_rect_order_4_grid_13_15_11_gridvalues_first_system_13_atoms
 31: [       OK ] Pme_GatherTest.WorksOn_CPU_box_rect_order_4_grid_13_15_11_gridvalues_first_system_13_atoms (0 ms)
 31: [ RUN      ] Pme_GatherTest.WorksOn_CPU_box_rect_order_4_grid_13_15_11_gridvalues_second_system_1_atom
@@ -121479,7 +121699,7 @@
 31: [ RUN      ] Pme_GatherTest.WorksOn_CPU_box_tric_order_5_grid_13_15_11_gridvalues_first_system_1_atom
 31: [       OK ] Pme_GatherTest.WorksOn_CPU_box_tric_order_5_grid_13_15_11_gridvalues_first_system_1_atom (0 ms)
 31: [ RUN      ] Pme_GatherTest.WorksOn_CPU_box_tric_order_5_grid_13_15_11_gridvalues_first_system_2_atoms
-31: [       OK ] Pme_GatherTest.WorksOn_CPU_box_tric_order_5_grid_13_15_11_gridvalues_first_system_2_atoms (4 ms)
+31: [       OK ] Pme_GatherTest.WorksOn_CPU_box_tric_order_5_grid_13_15_11_gridvalues_first_system_2_atoms (0 ms)
 31: [ RUN      ] Pme_GatherTest.WorksOn_CPU_box_tric_order_5_grid_13_15_11_gridvalues_first_system_13_atoms
 31: [       OK ] Pme_GatherTest.WorksOn_CPU_box_tric_order_5_grid_13_15_11_gridvalues_first_system_13_atoms (0 ms)
 31: [ RUN      ] Pme_GatherTest.WorksOn_CPU_box_tric_order_5_grid_13_15_11_gridvalues_second_system_1_atom
@@ -121487,8 +121707,8 @@
 31: [ RUN      ] Pme_GatherTest.WorksOn_CPU_box_tric_order_5_grid_13_15_11_gridvalues_second_system_2_atoms
 31: [       OK ] Pme_GatherTest.WorksOn_CPU_box_tric_order_5_grid_13_15_11_gridvalues_second_system_2_atoms (0 ms)
 31: [ RUN      ] Pme_GatherTest.WorksOn_CPU_box_tric_order_5_grid_13_15_11_gridvalues_second_system_13_atoms
-31: [       OK ] Pme_GatherTest.WorksOn_CPU_box_tric_order_5_grid_13_15_11_gridvalues_second_system_13_atoms (10 ms)
-31: [----------] 72 tests from Pme_GatherTest (69 ms total)
+31: [       OK ] Pme_GatherTest.WorksOn_CPU_box_tric_order_5_grid_13_15_11_gridvalues_second_system_13_atoms (0 ms)
+31: [----------] 72 tests from Pme_GatherTest (9 ms total)
 31: 
 31: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest
 31: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/0
@@ -121509,21 +121729,21 @@
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1
 31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 (1 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2
-31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2 (6 ms)
+31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2 (1 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3
 31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3 (1 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4
 31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4 (0 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5
-31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5 (10 ms)
+31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5 (1 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6
-31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 (6 ms)
+31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 (0 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7
-31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7 (8 ms)
+31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7 (1 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8
-31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 (7 ms)
+31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 (0 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9
-31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9 (3 ms)
+31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9 (0 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10
 31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10 (0 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11
@@ -121531,31 +121751,31 @@
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12
 31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12 (2 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13
-31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13 (1 ms)
+31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13 (0 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14
 31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14 (0 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15
 31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15 (1 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16
-31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16 (2 ms)
+31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16 (1 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17
-31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17 (5 ms)
+31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17 (0 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18
-31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18 (1 ms)
+31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18 (0 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19
 31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19 (0 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20
-31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20 (5 ms)
+31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20 (0 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21
 31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21 (1 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22
 31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22 (0 ms)
 31: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23
-31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 (6 ms)
-31: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest (83 ms total)
+31: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 (1 ms)
+31: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest (27 ms total)
 31: 
 31: [----------] Global test environment tear-down
-31: [==========] 407 tests from 9 test suites ran. (477 ms total)
+31: [==========] 407 tests from 9 test suites ran. (142 ms total)
 31: [  PASSED  ] 311 tests.
 31: [  SKIPPED ] 96 tests, listed below:
 31: [  SKIPPED ] Pme_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_XYZ_
@@ -121654,7 +121874,7 @@
 31: [  SKIPPED ] PmeDiffEps_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_Coulomb_order_XYZ_energy
 31: [  SKIPPED ] PmeDiffEps_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_XYZ_
 31: [  SKIPPED ] PmeDiffEps_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_XYZ_energy
-31/92 Test #31: EwaldUnitTests ............................   Passed    0.53 sec
+31/92 Test #31: EwaldUnitTests ............................   Passed    0.17 sec
 test 32
       Start 32: FFTUnitTests
 
@@ -121665,27 +121885,27 @@
 32: [----------] Global test environment set-up.
 32: [----------] 2 tests from ManyFFTTest
 32: [ RUN      ] ManyFFTTest.Complex1DLength48Multi5Test
-32: [       OK ] ManyFFTTest.Complex1DLength48Multi5Test (6 ms)
+32: [       OK ] ManyFFTTest.Complex1DLength48Multi5Test (1 ms)
 32: [ RUN      ] ManyFFTTest.Real1DLength48Multi5Test
-32: [       OK ] ManyFFTTest.Real1DLength48Multi5Test (7 ms)
-32: [----------] 2 tests from ManyFFTTest (18 ms total)
+32: [       OK ] ManyFFTTest.Real1DLength48Multi5Test (2 ms)
+32: [----------] 2 tests from ManyFFTTest (5 ms total)
 32: 
 32: [----------] 1 test from FFTTest
 32: [ RUN      ] FFTTest.Real2DLength18_15Test
-32: [       OK ] FFTTest.Real2DLength18_15Test (13 ms)
-32: [----------] 1 test from FFTTest (13 ms total)
+32: [       OK ] FFTTest.Real2DLength18_15Test (0 ms)
+32: [----------] 1 test from FFTTest (0 ms total)
 32: 
 32: [----------] 10 tests from 7_8_25_36_60/FFTTest1D
 32: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/0
 32: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/0 (0 ms)
 32: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/1
-32: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/1 (4 ms)
+32: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/1 (0 ms)
 32: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/2
 32: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/2 (0 ms)
 32: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/3
-32: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/3 (1 ms)
+32: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/3 (0 ms)
 32: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/4
-32: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/4 (1 ms)
+32: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/4 (0 ms)
 32: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/0
 32: [       OK ] 7_8_25_36_60/FFTTest1D.Real/0 (0 ms)
 32: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/1
@@ -121696,19 +121916,19 @@
 32: [       OK ] 7_8_25_36_60/FFTTest1D.Real/3 (1 ms)
 32: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/4
 32: [       OK ] 7_8_25_36_60/FFTTest1D.Real/4 (2 ms)
-32: [----------] 10 tests from 7_8_25_36_60/FFTTest1D (25 ms total)
+32: [----------] 10 tests from 7_8_25_36_60/FFTTest1D (6 ms total)
 32: 
 32: [----------] 2 tests from Works/ParameterizedFFTTest3D
 32: [ RUN      ] Works/ParameterizedFFTTest3D.RunsOnHost/5_6_9
-32: [       OK ] Works/ParameterizedFFTTest3D.RunsOnHost/5_6_9 (1 ms)
+32: [       OK ] Works/ParameterizedFFTTest3D.RunsOnHost/5_6_9 (0 ms)
 32: [ RUN      ] Works/ParameterizedFFTTest3D.RunsOnHost/5_5_10
-32: [       OK ] Works/ParameterizedFFTTest3D.RunsOnHost/5_5_10 (1 ms)
-32: [----------] 2 tests from Works/ParameterizedFFTTest3D (3 ms total)
+32: [       OK ] Works/ParameterizedFFTTest3D.RunsOnHost/5_5_10 (0 ms)
+32: [----------] 2 tests from Works/ParameterizedFFTTest3D (1 ms total)
 32: 
 32: [----------] Global test environment tear-down
-32: [==========] 15 tests from 4 test suites ran. (61 ms total)
+32: [==========] 15 tests from 4 test suites ran. (14 ms total)
 32: [  PASSED  ] 15 tests.
-32/92 Test #32: FFTUnitTests ..............................   Passed    0.11 sec
+32/92 Test #32: FFTUnitTests ..............................   Passed    0.04 sec
 test 33
       Start 33: GpuUtilsUnitTests
 
@@ -121918,9 +122138,9 @@
 33: [----------] 4 tests from AllocatorTest/3 (0 ms total)
 33: 
 33: [----------] Global test environment tear-down
-33: [==========] 67 tests from 22 test suites ran. (11 ms total)
+33: [==========] 67 tests from 22 test suites ran. (0 ms total)
 33: [  PASSED  ] 67 tests.
-33/92 Test #33: GpuUtilsUnitTests .........................   Passed    0.05 sec
+33/92 Test #33: GpuUtilsUnitTests .........................   Passed    0.02 sec
 test 34
       Start 34: HardwareUnitTests
 
@@ -121932,18 +122152,18 @@
 34: [----------] 1 test from CpuInfoTest
 34: [ RUN      ] CpuInfoTest.SupportLevel
 34: [       OK ] CpuInfoTest.SupportLevel (0 ms)
-34: [----------] 1 test from CpuInfoTest (5 ms total)
+34: [----------] 1 test from CpuInfoTest (0 ms total)
 34: 
 34: [----------] 4 tests from HardwareTopologyTest
 34: [ RUN      ] HardwareTopologyTest.Execute
-34: [       OK ] HardwareTopologyTest.Execute (7 ms)
+34: [       OK ] HardwareTopologyTest.Execute (6 ms)
 34: [ RUN      ] HardwareTopologyTest.HwlocExecute
-34: [       OK ] HardwareTopologyTest.HwlocExecute (10 ms)
+34: [       OK ] HardwareTopologyTest.HwlocExecute (6 ms)
 34: [ RUN      ] HardwareTopologyTest.ProcessorSelfconsistency
-34: [       OK ] HardwareTopologyTest.ProcessorSelfconsistency (6 ms)
+34: [       OK ] HardwareTopologyTest.ProcessorSelfconsistency (7 ms)
 34: [ RUN      ] HardwareTopologyTest.NumaCacheSelfconsistency
-34: [       OK ] HardwareTopologyTest.NumaCacheSelfconsistency (18 ms)
-34: [----------] 4 tests from HardwareTopologyTest (50 ms total)
+34: [       OK ] HardwareTopologyTest.NumaCacheSelfconsistency (6 ms)
+34: [----------] 4 tests from HardwareTopologyTest (27 ms total)
 34: 
 34: [----------] 1 test from DevicesManagerTest
 34: [ RUN      ] DevicesManagerTest.Serialization
@@ -121958,7 +122178,7 @@
 34: 
 34: [----------] 5 tests from XeonE52620/MockHardwareTopologyTest
 34: [ RUN      ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/0
-34: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/0 (3 ms)
+34: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/0 (0 ms)
 34: [ RUN      ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/1
 34: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/1 (0 ms)
 34: [ RUN      ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/2
@@ -121966,12 +122186,12 @@
 34: [ RUN      ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/3
 34: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/3 (0 ms)
 34: [ RUN      ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/4
-34: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/4 (4 ms)
-34: [----------] 5 tests from XeonE52620/MockHardwareTopologyTest (16 ms total)
+34: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/4 (0 ms)
+34: [----------] 5 tests from XeonE52620/MockHardwareTopologyTest (2 ms total)
 34: 
 34: [----------] 5 tests from Xeon4116/MockHardwareTopologyTest
 34: [ RUN      ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/0
-34: [       OK ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/0 (2 ms)
+34: [       OK ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/0 (0 ms)
 34: [ RUN      ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/1
 34: [       OK ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/1 (0 ms)
 34: [ RUN      ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/2
@@ -121980,37 +122200,37 @@
 34: [       OK ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/3 (0 ms)
 34: [ RUN      ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/4
 34: [       OK ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/4 (0 ms)
-34: [----------] 5 tests from Xeon4116/MockHardwareTopologyTest (6 ms total)
+34: [----------] 5 tests from Xeon4116/MockHardwareTopologyTest (2 ms total)
 34: 
 34: [----------] 2 tests from Core12900K/MockHardwareTopologyTest
 34: [ RUN      ] Core12900K/MockHardwareTopologyTest.DetectsHardware/0
-34: [       OK ] Core12900K/MockHardwareTopologyTest.DetectsHardware/0 (1 ms)
+34: [       OK ] Core12900K/MockHardwareTopologyTest.DetectsHardware/0 (0 ms)
 34: [ RUN      ] Core12900K/MockHardwareTopologyTest.DetectsHardware/1
-34: [       OK ] Core12900K/MockHardwareTopologyTest.DetectsHardware/1 (8 ms)
-34: [----------] 2 tests from Core12900K/MockHardwareTopologyTest (10 ms total)
+34: [       OK ] Core12900K/MockHardwareTopologyTest.DetectsHardware/1 (0 ms)
+34: [----------] 2 tests from Core12900K/MockHardwareTopologyTest (1 ms total)
 34: 
 34: [----------] 1 test from Core12900K/MockHardwareTopologySpecialSystemTest
 34: [ RUN      ] Core12900K/MockHardwareTopologySpecialSystemTest.DetectsHardware/0
-34: [       OK ] Core12900K/MockHardwareTopologySpecialSystemTest.DetectsHardware/0 (7 ms)
-34: [----------] 1 test from Core12900K/MockHardwareTopologySpecialSystemTest (7 ms total)
+34: [       OK ] Core12900K/MockHardwareTopologySpecialSystemTest.DetectsHardware/0 (0 ms)
+34: [----------] 1 test from Core12900K/MockHardwareTopologySpecialSystemTest (0 ms total)
 34: 
 34: [----------] 1 test from Power9/MockHardwareTopologySpecialSystemTest
 34: [ RUN      ] Power9/MockHardwareTopologySpecialSystemTest.DetectsHardware/0
-34: [       OK ] Power9/MockHardwareTopologySpecialSystemTest.DetectsHardware/0 (20 ms)
-34: [----------] 1 test from Power9/MockHardwareTopologySpecialSystemTest (20 ms total)
+34: [       OK ] Power9/MockHardwareTopologySpecialSystemTest.DetectsHardware/0 (0 ms)
+34: [----------] 1 test from Power9/MockHardwareTopologySpecialSystemTest (0 ms total)
 34: 
 34: [----------] 1 test from A64fx/MockHardwareTopologySpecialSystemTest
 34: [ RUN      ] A64fx/MockHardwareTopologySpecialSystemTest.DetectsHardware/0
-34: [       OK ] A64fx/MockHardwareTopologySpecialSystemTest.DetectsHardware/0 (25 ms)
-34: [----------] 1 test from A64fx/MockHardwareTopologySpecialSystemTest (25 ms total)
+34: [       OK ] A64fx/MockHardwareTopologySpecialSystemTest.DetectsHardware/0 (1 ms)
+34: [----------] 1 test from A64fx/MockHardwareTopologySpecialSystemTest (1 ms total)
 34: 
 34: [----------] Global test environment tear-down
-34: [==========] 22 tests from 10 test suites ran. (150 ms total)
+34: [==========] 22 tests from 10 test suites ran. (37 ms total)
 34: [  PASSED  ] 22 tests.
 34: 
 34:   YOU HAVE 1 DISABLED TEST
 34: 
-34/92 Test #34: HardwareUnitTests .........................   Passed    0.18 sec
+34/92 Test #34: HardwareUnitTests .........................   Passed    0.05 sec
 test 35
       Start 35: MathUnitTests
 
@@ -122059,7 +122279,7 @@
 35: 
 35: [----------] 8 tests from ComplexNumberTest
 35: [ RUN      ] ComplexNumberTest.RealComplexMultiply
-35: [       OK ] ComplexNumberTest.RealComplexMultiply (2 ms)
+35: [       OK ] ComplexNumberTest.RealComplexMultiply (0 ms)
 35: [ RUN      ] ComplexNumberTest.RealComplexExp
 35: [       OK ] ComplexNumberTest.RealComplexExp (0 ms)
 35: [ RUN      ] ComplexNumberTest.ComplexAdd
@@ -122074,7 +122294,7 @@
 35: [       OK ] ComplexNumberTest.ComplexConjugate (0 ms)
 35: [ RUN      ] ComplexNumberTest.ComplexAbs2
 35: [       OK ] ComplexNumberTest.ComplexAbs2 (0 ms)
-35: [----------] 8 tests from ComplexNumberTest (5 ms total)
+35: [----------] 8 tests from ComplexNumberTest (0 ms total)
 35: 
 35: [----------] 11 tests from TranslateAndScaleTest
 35: [ RUN      ] TranslateAndScaleTest.identityTransformation
@@ -122099,7 +122319,7 @@
 35: [       OK ] TranslateAndScaleTest.scalingInverseWithOneScaleDimensionZero (0 ms)
 35: [ RUN      ] TranslateAndScaleTest.scalingInverseWithOneScaleDimensionZeroSingleVector
 35: [       OK ] TranslateAndScaleTest.scalingInverseWithOneScaleDimensionZeroSingleVector (0 ms)
-35: [----------] 11 tests from TranslateAndScaleTest (1 ms total)
+35: [----------] 11 tests from TranslateAndScaleTest (0 ms total)
 35: 
 35: [----------] 3 tests from AffineTransformationTest
 35: [ RUN      ] AffineTransformationTest.identityTransformYieldsSameVectors
@@ -122128,9 +122348,9 @@
 35: [ RUN      ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect
 35: [       OK ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect (0 ms)
 35: [ RUN      ] DensitySimilarityTest.CrossCorrelationIsOne
-35: [       OK ] DensitySimilarityTest.CrossCorrelationIsOne (25 ms)
+35: [       OK ] DensitySimilarityTest.CrossCorrelationIsOne (11 ms)
 35: [ RUN      ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated
-35: [       OK ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated (22 ms)
+35: [       OK ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated (11 ms)
 35: [ RUN      ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated
 35: [       OK ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated (0 ms)
 35: [ RUN      ] DensitySimilarityTest.CrossCorrelationGradientIsCorrect
@@ -122139,7 +122359,7 @@
 35: [       OK ] DensitySimilarityTest.NormalizationCorrect (0 ms)
 35: [ RUN      ] DensitySimilarityTest.NormalizationAllNonPositive
 35: [       OK ] DensitySimilarityTest.NormalizationAllNonPositive (0 ms)
-35: [----------] 14 tests from DensitySimilarityTest (65 ms total)
+35: [----------] 14 tests from DensitySimilarityTest (25 ms total)
 35: 
 35: [----------] 6 tests from StructureSimilarityTest
 35: [ RUN      ] StructureSimilarityTest.StructureComparedToSelfHasZeroRMSD
@@ -122218,7 +122438,7 @@
 35: [       OK ] FunctionTest.ErfAndErfInvAreInversesFloat (0 ms)
 35: [ RUN      ] FunctionTest.ErfAndErfInvAreInversesDouble
 35: [       OK ] FunctionTest.ErfAndErfInvAreInversesDouble (0 ms)
-35: [----------] 21 tests from FunctionTest (7 ms total)
+35: [----------] 21 tests from FunctionTest (1 ms total)
 35: 
 35: [----------] 2 tests from FunctionTestIntegerTypes/0, where TypeParam = signed char
 35: [ RUN      ] FunctionTestIntegerTypes/0.IsPowerOfTwo
@@ -122369,7 +122589,7 @@
 35: [       OK ] MatrixTest.MatrixMatrixMultiplication (0 ms)
 35: [ RUN      ] MatrixTest.MatrixVectorMultiplication
 35: [       OK ] MatrixTest.MatrixVectorMultiplication (0 ms)
-35: [----------] 22 tests from MatrixTest (1 ms total)
+35: [----------] 22 tests from MatrixTest (0 ms total)
 35: 
 35: [----------] 25 tests from MultiDimArrayTest
 35: [ RUN      ] MultiDimArrayTest.canConstructAndFillStatic
@@ -122422,7 +122642,7 @@
 35: [       OK ] MultiDimArrayTest.constViewConstBegin (0 ms)
 35: [ RUN      ] MultiDimArrayTest.constViewConstEnd
 35: [       OK ] MultiDimArrayTest.constViewConstEnd (0 ms)
-35: [----------] 25 tests from MultiDimArrayTest (3 ms total)
+35: [----------] 25 tests from MultiDimArrayTest (0 ms total)
 35: 
 35: [----------] 4 tests from MultiDimArrayToMdSpanTest
 35: [ RUN      ] MultiDimArrayToMdSpanTest.convertsToMdSpan
@@ -122799,9 +123019,9 @@
 35: [----------] 41 tests from RVecTest (0 ms total)
 35: 
 35: [----------] Global test environment tear-down
-35: [==========] 328 tests from 41 test suites ran. (93 ms total)
+35: [==========] 328 tests from 41 test suites ran. (31 ms total)
 35: [  PASSED  ] 328 tests.
-35/92 Test #35: MathUnitTests .............................   Passed    0.15 sec
+35/92 Test #35: MathUnitTests .............................   Passed    0.05 sec
 test 36
       Start 36: MdrunUtilityUnitTests
 
@@ -122850,20 +123070,20 @@
 36: NOTE: Affinity setting failed.
 36: [       OK ] ThreadAffinityTest.HandlesPinningFailureWithSingleThread (0 ms)
 36: [ RUN      ] ThreadAffinityTest.PinsMultipleThreadsWithAuto
-36: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithAuto (3 ms)
+36: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithAuto (0 ms)
 36: [ RUN      ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced
-36: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced (3 ms)
+36: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced (0 ms)
 36: [ RUN      ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads
 36: [       OK ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads (0 ms)
 36: [ RUN      ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing
 36: NOTE: Affinity setting for 1/2 threads failed.
 36: [       OK ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing (0 ms)
-36: [----------] 17 tests from ThreadAffinityTest (15 ms total)
+36: [----------] 17 tests from ThreadAffinityTest (3 ms total)
 36: 
 36: [----------] Global test environment tear-down
-36: [==========] 21 tests from 2 test suites ran. (15 ms total)
+36: [==========] 21 tests from 2 test suites ran. (3 ms total)
 36: [  PASSED  ] 21 tests.
-36/92 Test #36: MdrunUtilityUnitTests .....................   Passed    0.04 sec
+36/92 Test #36: MdrunUtilityUnitTests .....................   Passed    0.02 sec
 test 37
       Start 37: MdrunUtilityMpiUnitTests
 
@@ -122874,40 +123094,40 @@
 37: [----------] Global test environment set-up.
 37: [----------] 6 tests from ThreadAffinityMultiRankTest
 37: [ RUN      ] ThreadAffinityMultiRankTest.PinsWholeNode
-37: [       OK ] ThreadAffinityMultiRankTest.PinsWholeNode (79 ms)
+37: [       OK ] ThreadAffinityMultiRankTest.PinsWholeNode (34 ms)
 37: [ RUN      ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride
-37: [       OK ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride (104 ms)
+37: [       OK ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride (33 ms)
 37: [ RUN      ] ThreadAffinityMultiRankTest.PinsTwoNodes
-37: [       OK ] ThreadAffinityMultiRankTest.PinsTwoNodes (61 ms)
+37: [       OK ] ThreadAffinityMultiRankTest.PinsTwoNodes (22 ms)
 37: [ RUN      ] ThreadAffinityMultiRankTest.DoesNothingWhenDisabled
-37: [       OK ] ThreadAffinityMultiRankTest.DoesNothingWhenDisabled (38 ms)
+37: [       OK ] ThreadAffinityMultiRankTest.DoesNothingWhenDisabled (6 ms)
 37: [ RUN      ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto
-37: [       OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto (119 ms)
+37: [       OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto (18 ms)
 37: [ RUN      ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce
-37: [       OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce (119 ms)
-37: [----------] 6 tests from ThreadAffinityMultiRankTest (524 ms total)
+37: [       OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce (0 ms)
+37: [----------] 6 tests from ThreadAffinityMultiRankTest (116 ms total)
 37: 
 37: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest
 37: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsOnMainOnly
-37: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnMainOnly (119 ms)
+37: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnMainOnly (15 ms)
 37: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMainOnly
-37: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMainOnly (53 ms)
+37: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMainOnly (0 ms)
 37: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMain
-37: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMain (115 ms)
+37: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMain (0 ms)
 37: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMainOnly
-37: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMainOnly (90 ms)
+37: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMainOnly (0 ms)
 37: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMainOnly
-37: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMainOnly (83 ms)
+37: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMainOnly (17 ms)
 37: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMainOnly
-37: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMainOnly (116 ms)
+37: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMainOnly (37 ms)
 37: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMainOnly
-37: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMainOnly (127 ms)
-37: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest (707 ms total)
+37: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMainOnly (0 ms)
+37: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest (73 ms total)
 37: 
 37: [----------] Global test environment tear-down
-37: [==========] 13 tests from 2 test suites ran. (1238 ms total)
+37: [==========] 13 tests from 2 test suites ran. (190 ms total)
 37: [  PASSED  ] 13 tests.
-37/92 Test #37: MdrunUtilityMpiUnitTests ..................   Passed    1.26 sec
+37/92 Test #37: MdrunUtilityMpiUnitTests ..................   Passed    0.20 sec
 test 38
       Start 38: MDSpanTests
 
@@ -122936,7 +123156,7 @@
 38: [       OK ] ExtentsTest.RankNought (0 ms)
 38: [ RUN      ] ExtentsTest.Assignment
 38: [       OK ] ExtentsTest.Assignment (0 ms)
-38: [----------] 4 tests from ExtentsTest (2 ms total)
+38: [----------] 4 tests from ExtentsTest (0 ms total)
 38: 
 38: [----------] 8 tests from MdSpanExtension
 38: [ RUN      ] MdSpanExtension.SlicingAllStatic
@@ -123002,9 +123222,9 @@
 38: [----------] 6 tests from MdSpanTest/1 (0 ms total)
 38: 
 38: [----------] Global test environment tear-down
-38: [==========] 32 tests from 7 test suites ran. (4 ms total)
+38: [==========] 32 tests from 7 test suites ran. (0 ms total)
 38: [  PASSED  ] 32 tests.
-38/92 Test #38: MDSpanTests ...............................   Passed    0.03 sec
+38/92 Test #38: MDSpanTests ...............................   Passed    0.01 sec
 test 39
       Start 39: MdtypesUnitTest
 
@@ -123144,7 +123364,7 @@
 39: [ RUN      ] WithVariousSubscriberCounts/ObservablesReducerIntegrationTest.CanBuildAndUseWithoutAllNeedingReduction/numSubscribers3numRanks2
 39: [       OK ] WithVariousSubscriberCounts/ObservablesReducerIntegrationTest.CanBuildAndUseWithoutAllNeedingReduction/numSubscribers3numRanks2 (0 ms)
 39: [ RUN      ] WithVariousSubscriberCounts/ObservablesReducerIntegrationTest.CanBuildAndUseWithoutAllNeedingReduction/numSubscribers3numRanks3
-39: [       OK ] WithVariousSubscriberCounts/ObservablesReducerIntegrationTest.CanBuildAndUseWithoutAllNeedingReduction/numSubscribers3numRanks3 (3 ms)
+39: [       OK ] WithVariousSubscriberCounts/ObservablesReducerIntegrationTest.CanBuildAndUseWithoutAllNeedingReduction/numSubscribers3numRanks3 (0 ms)
 39: [ RUN      ] WithVariousSubscriberCounts/ObservablesReducerIntegrationTest.CanBuildAndUseWhenASubscriberUsesEventually/numSubscribers0numRanks1
 39: [       OK ] WithVariousSubscriberCounts/ObservablesReducerIntegrationTest.CanBuildAndUseWhenASubscriberUsesEventually/numSubscribers0numRanks1 (0 ms)
 39: [ RUN      ] WithVariousSubscriberCounts/ObservablesReducerIntegrationTest.CanBuildAndUseWhenASubscriberUsesEventually/numSubscribers0numRanks2
@@ -123193,7 +123413,7 @@
 39: [       OK ] WithVariousSubscriberCounts/ObservablesReducerIntegrationTest.CanBuildAndUseWhenAllSubscribersUseEventually/numSubscribers3numRanks2 (0 ms)
 39: [ RUN      ] WithVariousSubscriberCounts/ObservablesReducerIntegrationTest.CanBuildAndUseWhenAllSubscribersUseEventually/numSubscribers3numRanks3
 39: [       OK ] WithVariousSubscriberCounts/ObservablesReducerIntegrationTest.CanBuildAndUseWhenAllSubscribersUseEventually/numSubscribers3numRanks3 (0 ms)
-39: [----------] 60 tests from WithVariousSubscriberCounts/ObservablesReducerIntegrationTest (6 ms total)
+39: [----------] 60 tests from WithVariousSubscriberCounts/ObservablesReducerIntegrationTest (0 ms total)
 39: 
 39: [----------] 15 tests from ChecksStepInterval/MtsIntervalTest
 39: [ RUN      ] ChecksStepInterval/MtsIntervalTest.Works/0
@@ -123226,12 +123446,12 @@
 39: [       OK ] ChecksStepInterval/MtsIntervalTest.Works/13 (0 ms)
 39: [ RUN      ] ChecksStepInterval/MtsIntervalTest.Works/14
 39: [       OK ] ChecksStepInterval/MtsIntervalTest.Works/14 (0 ms)
-39: [----------] 15 tests from ChecksStepInterval/MtsIntervalTest (1 ms total)
+39: [----------] 15 tests from ChecksStepInterval/MtsIntervalTest (0 ms total)
 39: 
 39: [----------] Global test environment tear-down
-39: [==========] 97 tests from 7 test suites ran. (15 ms total)
+39: [==========] 97 tests from 7 test suites ran. (4 ms total)
 39: [  PASSED  ] 97 tests.
-39/92 Test #39: MdtypesUnitTest ...........................   Passed    0.04 sec
+39/92 Test #39: MdtypesUnitTest ...........................   Passed    0.02 sec
 test 40
       Start 40: OnlineHelpUnitTests
 
@@ -123244,7 +123464,7 @@
 40: [ RUN      ] TextTableFormatterTest.HandlesBasicCase
 40: [       OK ] TextTableFormatterTest.HandlesBasicCase (0 ms)
 40: [ RUN      ] TextTableFormatterTest.HandlesEmptyColumnTitles
-40: [       OK ] TextTableFormatterTest.HandlesEmptyColumnTitles (3 ms)
+40: [       OK ] TextTableFormatterTest.HandlesEmptyColumnTitles (0 ms)
 40: [ RUN      ] TextTableFormatterTest.HandlesIndentation
 40: [       OK ] TextTableFormatterTest.HandlesIndentation (0 ms)
 40: [ RUN      ] TextTableFormatterTest.HandlesOverflowingLines
@@ -123253,7 +123473,7 @@
 40: [       OK ] TextTableFormatterTest.HandlesLastColumnFolding (0 ms)
 40: [ RUN      ] TextTableFormatterTest.HandlesEmptyColumns
 40: [       OK ] TextTableFormatterTest.HandlesEmptyColumns (0 ms)
-40: [----------] 6 tests from TextTableFormatterTest (10 ms total)
+40: [----------] 6 tests from TextTableFormatterTest (0 ms total)
 40: 
 40: [----------] 3 tests from HelpManagerTest
 40: [ RUN      ] HelpManagerTest.HandlesRootTopic
@@ -123273,7 +123493,7 @@
 40: 
 40: [----------] 11 tests from HelpWriterContextTest
 40: [ RUN      ] HelpWriterContextTest.FormatsParagraphs
-40: [       OK ] HelpWriterContextTest.FormatsParagraphs (1 ms)
+40: [       OK ] HelpWriterContextTest.FormatsParagraphs (0 ms)
 40: [ RUN      ] HelpWriterContextTest.FormatsRstStyleParagraphs
 40: [       OK ] HelpWriterContextTest.FormatsRstStyleParagraphs (0 ms)
 40: [ RUN      ] HelpWriterContextTest.CleansUpExtraWhitespace
@@ -123294,12 +123514,12 @@
 40: [       OK ] HelpWriterContextTest.FormatsGridTable (0 ms)
 40: [ RUN      ] HelpWriterContextTest.FormatsTitles
 40: [       OK ] HelpWriterContextTest.FormatsTitles (0 ms)
-40: [----------] 11 tests from HelpWriterContextTest (6 ms total)
+40: [----------] 11 tests from HelpWriterContextTest (0 ms total)
 40: 
 40: [----------] Global test environment tear-down
-40: [==========] 22 tests from 4 test suites ran. (17 ms total)
+40: [==========] 22 tests from 4 test suites ran. (1 ms total)
 40: [  PASSED  ] 22 tests.
-40/92 Test #40: OnlineHelpUnitTests .......................   Passed    0.04 sec
+40/92 Test #40: OnlineHelpUnitTests .......................   Passed    0.01 sec
 test 41
       Start 41: OptionsUnitTests
 
@@ -123319,7 +123539,7 @@
 41: [       OK ] AbstractOptionStorageTest.HandlesTooManyValueAddition (0 ms)
 41: [ RUN      ] AbstractOptionStorageTest.AllowsEmptyValues
 41: [       OK ] AbstractOptionStorageTest.AllowsEmptyValues (0 ms)
-41: [----------] 5 tests from AbstractOptionStorageTest (1 ms total)
+41: [----------] 5 tests from AbstractOptionStorageTest (0 ms total)
 41: 
 41: [----------] 10 tests from FileNameOptionTest
 41: [ RUN      ] FileNameOptionTest.HandlesRequiredDefaultValueWithoutExtension
@@ -123342,7 +123562,7 @@
 41: [       OK ] FileNameOptionTest.HandlesRequiredCsvValueWithoutExtension (0 ms)
 41: [ RUN      ] FileNameOptionTest.HandlesRequiredCsvOptionWithoutValue
 41: [       OK ] FileNameOptionTest.HandlesRequiredCsvOptionWithoutValue (0 ms)
-41: [----------] 10 tests from FileNameOptionTest (1 ms total)
+41: [----------] 10 tests from FileNameOptionTest (0 ms total)
 41: 
 41: [----------] 16 tests from FileNameOptionManagerTest
 41: [ RUN      ] FileNameOptionManagerTest.AddsMissingExtension
@@ -123377,7 +123597,7 @@
 41: [       OK ] FileNameOptionManagerTest.DefaultNameOptionWorksWithoutInputChecking (0 ms)
 41: [ RUN      ] FileNameOptionManagerTest.AcceptsCompressedInputFile
 41: [       OK ] FileNameOptionManagerTest.AcceptsCompressedInputFile (0 ms)
-41: [----------] 16 tests from FileNameOptionManagerTest (5 ms total)
+41: [----------] 16 tests from FileNameOptionManagerTest (0 ms total)
 41: 
 41: [----------] 1 test from OptionsTest
 41: [ RUN      ] OptionsTest.FailsOnNonsafeStorage
@@ -123560,14 +123780,14 @@
 41: [ RUN      ] TreeValueSupportAdjustTest.FillsDefaultVectorValues
 41: [       OK ] TreeValueSupportAdjustTest.FillsDefaultVectorValues (0 ms)
 41: [ RUN      ] TreeValueSupportAdjustTest.FillsDefaultObjectValues
-41: [       OK ] TreeValueSupportAdjustTest.FillsDefaultObjectValues (1 ms)
+41: [       OK ] TreeValueSupportAdjustTest.FillsDefaultObjectValues (0 ms)
 41: [ RUN      ] TreeValueSupportAdjustTest.NormalizesValues
 41: [       OK ] TreeValueSupportAdjustTest.NormalizesValues (0 ms)
 41: [ RUN      ] TreeValueSupportAdjustTest.MergesDefaultValues
 41: [       OK ] TreeValueSupportAdjustTest.MergesDefaultValues (0 ms)
 41: [ RUN      ] TreeValueSupportAdjustTest.OrdersValues
 41: [       OK ] TreeValueSupportAdjustTest.OrdersValues (0 ms)
-41: [----------] 6 tests from TreeValueSupportAdjustTest (1 ms total)
+41: [----------] 6 tests from TreeValueSupportAdjustTest (0 ms total)
 41: 
 41: [----------] 7 tests from TreeValueSupportTest
 41: [ RUN      ] TreeValueSupportTest.SupportsBooleanOption
@@ -123584,12 +123804,12 @@
 41: [       OK ] TreeValueSupportTest.SupportsDoubleOption (0 ms)
 41: [ RUN      ] TreeValueSupportTest.SupportsEnumOption
 41: [       OK ] TreeValueSupportTest.SupportsEnumOption (0 ms)
-41: [----------] 7 tests from TreeValueSupportTest (2 ms total)
+41: [----------] 7 tests from TreeValueSupportTest (0 ms total)
 41: 
 41: [----------] Global test environment tear-down
-41: [==========] 112 tests from 18 test suites ran. (17 ms total)
+41: [==========] 112 tests from 18 test suites ran. (2 ms total)
 41: [  PASSED  ] 112 tests.
-41/92 Test #41: OptionsUnitTests ..........................   Passed    0.06 sec
+41/92 Test #41: OptionsUnitTests ..........................   Passed    0.02 sec
 test 42
       Start 42: PbcutilUnitTest
 
@@ -123612,7 +123832,7 @@
 42: 
 42: [----------] 5 tests from PbcTest
 42: [ RUN      ] PbcTest.CalcShiftsWorks
-42: [       OK ] PbcTest.CalcShiftsWorks (5 ms)
+42: [       OK ] PbcTest.CalcShiftsWorks (2 ms)
 42: [ RUN      ] PbcTest.PutAtomsInCubicBoxAlreadyInBox
 42: [       OK ] PbcTest.PutAtomsInCubicBoxAlreadyInBox (0 ms)
 42: [ RUN      ] PbcTest.PutAtomsInCubicBoxFromOutsideBox
@@ -123621,7 +123841,7 @@
 42: [       OK ] PbcTest.PutAtomsInTriclinicBoxFromOutsideBox (0 ms)
 42: [ RUN      ] PbcTest.PutAtomsInBoxHandlesInf
 42: [       OK ] PbcTest.PutAtomsInBoxHandlesInf (0 ms)
-42: [----------] 5 tests from PbcTest (5 ms total)
+42: [----------] 5 tests from PbcTest (2 ms total)
 42: 
 42: [----------] 2 tests from PbcEnumsTest
 42: [ RUN      ] PbcEnumsTest.CenteringTypeNamesAreCorrect
@@ -123640,7 +123860,7 @@
 42: [ RUN      ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/3
 42: [       OK ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/3 (0 ms)
 42: [ RUN      ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/4
-42: [       OK ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/4 (3 ms)
+42: [       OK ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/4 (0 ms)
 42: [ RUN      ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/5
 42: [       OK ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/5 (0 ms)
 42: [ RUN      ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/6
@@ -123656,7 +123876,7 @@
 42: [ RUN      ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/11
 42: [       OK ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/11 (0 ms)
 42: [ RUN      ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/12
-42: [       OK ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/12 (6 ms)
+42: [       OK ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/12 (0 ms)
 42: [ RUN      ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/13
 42: [       OK ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/13 (0 ms)
 42: [ RUN      ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/14
@@ -123664,7 +123884,7 @@
 42: [ RUN      ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/15
 42: [       OK ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/15 (0 ms)
 42: [ RUN      ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/16
-42: [       OK ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/16 (1 ms)
+42: [       OK ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/16 (0 ms)
 42: [ RUN      ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/17
 42: [       OK ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/17 (0 ms)
 42: [ RUN      ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/18
@@ -123684,13 +123904,13 @@
 42: [ RUN      ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/25
 42: [       OK ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/25 (0 ms)
 42: [ RUN      ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/26
-42: [       OK ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/26 (3 ms)
-42: [----------] 27 tests from CorrectCoordinates/COMInPlaceTest (23 ms total)
+42: [       OK ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/26 (0 ms)
+42: [----------] 27 tests from CorrectCoordinates/COMInPlaceTest (5 ms total)
 42: 
 42: [----------] Global test environment tear-down
-42: [==========] 37 tests from 5 test suites ran. (28 ms total)
+42: [==========] 37 tests from 5 test suites ran. (8 ms total)
 42: [  PASSED  ] 37 tests.
-42/92 Test #42: PbcutilUnitTest ...........................   Passed    0.06 sec
+42/92 Test #42: PbcutilUnitTest ...........................   Passed    0.03 sec
 test 43
       Start 43: RandomUnitTests
 
@@ -123741,7 +123961,7 @@
 43: [ RUN      ] TabulatedNormalDistributionTest.Output14
 43: [       OK ] TabulatedNormalDistributionTest.Output14 (0 ms)
 43: [ RUN      ] TabulatedNormalDistributionTest.Output16
-43: [       OK ] TabulatedNormalDistributionTest.Output16 (5 ms)
+43: [       OK ] TabulatedNormalDistributionTest.Output16 (0 ms)
 43: [ RUN      ] TabulatedNormalDistributionTest.OutputDouble14
 43: [       OK ] TabulatedNormalDistributionTest.OutputDouble14 (0 ms)
 43: [ RUN      ] TabulatedNormalDistributionTest.Logical
@@ -123750,7 +123970,7 @@
 43: [       OK ] TabulatedNormalDistributionTest.Reset (0 ms)
 43: [ RUN      ] TabulatedNormalDistributionTest.AltParam
 43: [       OK ] TabulatedNormalDistributionTest.AltParam (0 ms)
-43: [----------] 6 tests from TabulatedNormalDistributionTest (5 ms total)
+43: [----------] 6 tests from TabulatedNormalDistributionTest (0 ms total)
 43: 
 43: [----------] 1 test from TabulatedNormalDistributionTableTest
 43: [ RUN      ] TabulatedNormalDistributionTableTest.HasValidProperties
@@ -123761,7 +123981,7 @@
 43: [ RUN      ] ThreeFry2x64Test.Logical
 43: [       OK ] ThreeFry2x64Test.Logical (0 ms)
 43: [ RUN      ] ThreeFry2x64Test.InternalCounterSequence
-43: [       OK ] ThreeFry2x64Test.InternalCounterSequence (1 ms)
+43: [       OK ] ThreeFry2x64Test.InternalCounterSequence (0 ms)
 43: [ RUN      ] ThreeFry2x64Test.Reseed
 43: [       OK ] ThreeFry2x64Test.Reseed (0 ms)
 43: [ RUN      ] ThreeFry2x64Test.Discard
@@ -123770,7 +123990,7 @@
 43: [       OK ] ThreeFry2x64Test.InvalidCounter (0 ms)
 43: [ RUN      ] ThreeFry2x64Test.ExhaustInternalCounter
 43: [       OK ] ThreeFry2x64Test.ExhaustInternalCounter (0 ms)
-43: [----------] 6 tests from ThreeFry2x64Test (1 ms total)
+43: [----------] 6 tests from ThreeFry2x64Test (0 ms total)
 43: 
 43: [----------] 4 tests from UniformIntDistributionTest
 43: [ RUN      ] UniformIntDistributionTest.Output
@@ -123818,9 +124038,9 @@
 43: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test (0 ms total)
 43: 
 43: [----------] Global test environment tear-down
-43: [==========] 44 tests from 10 test suites ran. (9 ms total)
+43: [==========] 44 tests from 10 test suites ran. (1 ms total)
 43: [  PASSED  ] 44 tests.
-43/92 Test #43: RandomUnitTests ...........................   Passed    0.03 sec
+43/92 Test #43: RandomUnitTests ...........................   Passed    0.01 sec
 test 44
       Start 44: RestraintTests
 
@@ -123837,7 +124057,7 @@
 44: [----------] Global test environment tear-down
 44: [==========] 1 test from 1 test suite ran. (0 ms total)
 44: [  PASSED  ] 1 test.
-44/92 Test #44: RestraintTests ............................   Passed    0.06 sec
+44/92 Test #44: RestraintTests ............................   Passed    0.01 sec
 test 45
       Start 45: TableUnitTests
 
@@ -123852,7 +124072,7 @@
 45: [ RUN      ] SplineTableTest/0.Sinc
 45: [       OK ] SplineTableTest/0.Sinc (0 ms)
 45: [ RUN      ] SplineTableTest/0.LJ12
-45: [       OK ] SplineTableTest/0.LJ12 (11 ms)
+45: [       OK ] SplineTableTest/0.LJ12 (6 ms)
 45: [ RUN      ] SplineTableTest/0.PmeCorrection
 45: [       OK ] SplineTableTest/0.PmeCorrection (0 ms)
 45: [ RUN      ] SplineTableTest/0.HandlesIncorrectNumericalInput
@@ -123860,14 +124080,14 @@
 45: [ RUN      ] SplineTableTest/0.NumericalInputPmeCorr
 45: [       OK ] SplineTableTest/0.NumericalInputPmeCorr (0 ms)
 45: [ RUN      ] SplineTableTest/0.TwoFunctions
-45: [       OK ] SplineTableTest/0.TwoFunctions (15 ms)
+45: [       OK ] SplineTableTest/0.TwoFunctions (10 ms)
 45: [ RUN      ] SplineTableTest/0.ThreeFunctions
-45: [       OK ] SplineTableTest/0.ThreeFunctions (15 ms)
+45: [       OK ] SplineTableTest/0.ThreeFunctions (10 ms)
 45: [ RUN      ] SplineTableTest/0.Simd
 45: [       OK ] SplineTableTest/0.Simd (2 ms)
 45: [ RUN      ] SplineTableTest/0.SimdTwoFunctions
-45: [       OK ] SplineTableTest/0.SimdTwoFunctions (14 ms)
-45: [----------] 10 tests from SplineTableTest/0 (80 ms total)
+45: [       OK ] SplineTableTest/0.SimdTwoFunctions (9 ms)
+45: [----------] 10 tests from SplineTableTest/0 (40 ms total)
 45: 
 45: [----------] 10 tests from SplineTableTest/1, where TypeParam = gmx::CubicSplineTable
 45: [ RUN      ] SplineTableTest/1.HandlesIncorrectInput
@@ -123875,7 +124095,7 @@
 45: [ RUN      ] SplineTableTest/1.Sinc
 45: [       OK ] SplineTableTest/1.Sinc (0 ms)
 45: [ RUN      ] SplineTableTest/1.LJ12
-45: [       OK ] SplineTableTest/1.LJ12 (26 ms)
+45: [       OK ] SplineTableTest/1.LJ12 (13 ms)
 45: [ RUN      ] SplineTableTest/1.PmeCorrection
 45: [       OK ] SplineTableTest/1.PmeCorrection (0 ms)
 45: [ RUN      ] SplineTableTest/1.HandlesIncorrectNumericalInput
@@ -123883,19 +124103,19 @@
 45: [ RUN      ] SplineTableTest/1.NumericalInputPmeCorr
 45: [       OK ] SplineTableTest/1.NumericalInputPmeCorr (0 ms)
 45: [ RUN      ] SplineTableTest/1.TwoFunctions
-45: [       OK ] SplineTableTest/1.TwoFunctions (46 ms)
+45: [       OK ] SplineTableTest/1.TwoFunctions (24 ms)
 45: [ RUN      ] SplineTableTest/1.ThreeFunctions
-45: [       OK ] SplineTableTest/1.ThreeFunctions (53 ms)
+45: [       OK ] SplineTableTest/1.ThreeFunctions (27 ms)
 45: [ RUN      ] SplineTableTest/1.Simd
 45: [       OK ] SplineTableTest/1.Simd (5 ms)
 45: [ RUN      ] SplineTableTest/1.SimdTwoFunctions
-45: [       OK ] SplineTableTest/1.SimdTwoFunctions (39 ms)
-45: [----------] 10 tests from SplineTableTest/1 (189 ms total)
+45: [       OK ] SplineTableTest/1.SimdTwoFunctions (22 ms)
+45: [----------] 10 tests from SplineTableTest/1 (95 ms total)
 45: 
 45: [----------] Global test environment tear-down
-45: [==========] 20 tests from 2 test suites ran. (270 ms total)
+45: [==========] 20 tests from 2 test suites ran. (136 ms total)
 45: [  PASSED  ] 20 tests.
-45/92 Test #45: TableUnitTests ............................   Passed    0.29 sec
+45/92 Test #45: TableUnitTests ............................   Passed    0.15 sec
 test 46
       Start 46: TaskAssignmentUnitTests
 
@@ -123914,12 +124134,12 @@
 46: [----------] 1 test from GpuIdAndAssignmentStringHandlingTest
 46: [ RUN      ] GpuIdAndAssignmentStringHandlingTest.InvalidInputsThrow
 46: [       OK ] GpuIdAndAssignmentStringHandlingTest.InvalidInputsThrow (0 ms)
-46: [----------] 1 test from GpuIdAndAssignmentStringHandlingTest (5 ms total)
+46: [----------] 1 test from GpuIdAndAssignmentStringHandlingTest (0 ms total)
 46: 
 46: [----------] Global test environment tear-down
-46: [==========] 3 tests from 2 test suites ran. (6 ms total)
+46: [==========] 3 tests from 2 test suites ran. (0 ms total)
 46: [  PASSED  ] 3 tests.
-46/92 Test #46: TaskAssignmentUnitTests ...................   Passed    0.02 sec
+46/92 Test #46: TaskAssignmentUnitTests ...................   Passed    0.01 sec
 test 47
       Start 47: GmxTimingTests
 
@@ -123941,12 +124161,12 @@
 47: [       OK ] TimingTest.RunWallCycle (1 ms)
 47: [ RUN      ] TimingTest.RunWallCycleSub
 47: [       OK ] TimingTest.RunWallCycleSub (0 ms)
-47: [----------] 6 tests from TimingTest (5 ms total)
+47: [----------] 6 tests from TimingTest (1 ms total)
 47: 
 47: [----------] Global test environment tear-down
-47: [==========] 6 tests from 1 test suite ran. (5 ms total)
+47: [==========] 6 tests from 1 test suite ran. (1 ms total)
 47: [  PASSED  ] 6 tests.
-47/92 Test #47: GmxTimingTests ............................   Passed    0.02 sec
+47/92 Test #47: GmxTimingTests ............................   Passed    0.01 sec
 test 48
       Start 48: TopologyTest
 
@@ -124000,7 +124220,7 @@
 48:          be removed in a future GROMACS version. Please, consider
 48:          using another file format for your input.
 48: 
-48: [       OK ] IndexTest.AnalyseWorksDefaultGroups (16 ms)
+48: [       OK ] IndexTest.AnalyseWorksDefaultGroups (3 ms)
 48: [ RUN      ] IndexTest.WriteIndexWorks
 48: 
 48: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -124024,8 +124244,8 @@
 48:          be removed in a future GROMACS version. Please, consider
 48:          using another file format for your input.
 48: 
-48: [       OK ] IndexTest.WriteAndReadIndexWorks (3 ms)
-48: [----------] 3 tests from IndexTest (25 ms total)
+48: [       OK ] IndexTest.WriteAndReadIndexWorks (2 ms)
+48: [----------] 3 tests from IndexTest (7 ms total)
 48: 
 48: [----------] 4 tests from MtopTest
 48: [ RUN      ] MtopTest.RangeBasedLoop
@@ -124112,13 +124332,13 @@
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/3
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/3 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/4
-48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/4 (6 ms)
+48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/4 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/5
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/5 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/6
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/6 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/7
-48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/7 (3 ms)
+48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/7 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/8
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/8 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/9
@@ -124128,7 +124348,7 @@
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/11
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/11 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/12
-48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/12 (3 ms)
+48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/12 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/13
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/13 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/14
@@ -124142,11 +124362,11 @@
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/18
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/18 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/19
-48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/19 (2 ms)
+48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/19 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/20
-48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/20 (3 ms)
+48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/20 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/21
-48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/21 (3 ms)
+48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/21 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/22
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/22 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/23
@@ -124178,11 +124398,11 @@
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/36
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/36 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/37
-48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/37 (4 ms)
+48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/37 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/38
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/38 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/39
-48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/39 (3 ms)
+48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/39 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/40
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/40 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/41
@@ -124190,7 +124410,7 @@
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/42
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/42 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/43
-48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/43 (3 ms)
+48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/43 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/44
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/44 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/45
@@ -124200,25 +124420,25 @@
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/47
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/47 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/48
-48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/48 (3 ms)
+48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/48 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/49
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/49 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/50
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/50 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/51
-48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/51 (3 ms)
+48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/51 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/52
-48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/52 (3 ms)
+48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/52 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/53
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanCreate/53 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/0
-48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/0 (3 ms)
+48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/0 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/1
-48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/1 (3 ms)
+48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/1 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/2
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/2 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/3
-48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/3 (3 ms)
+48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/3 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/4
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/4 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/5
@@ -124250,7 +124470,7 @@
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/18
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/18 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/19
-48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/19 (3 ms)
+48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/19 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/20
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/20 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/21
@@ -124296,7 +124516,7 @@
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/41
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/41 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/42
-48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/42 (3 ms)
+48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/42 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/43
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/43 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/44
@@ -124319,15 +124539,15 @@
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/52 (0 ms)
 48: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/53
 48: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/53 (0 ms)
-48: [----------] 108 tests from BuildsValidDataStructure/SimulationParticleTest (96 ms total)
+48: [----------] 108 tests from BuildsValidDataStructure/SimulationParticleTest (7 ms total)
 48: 
 48: [----------] Global test environment tear-down
-48: [==========] 153 tests from 10 test suites ran. (130 ms total)
+48: [==========] 153 tests from 10 test suites ran. (16 ms total)
 48: [  PASSED  ] 153 tests.
 48: 
 48:   YOU HAVE 1 DISABLED TEST
 48: 
-48/92 Test #48: TopologyTest ..............................   Passed    0.16 sec
+48/92 Test #48: TopologyTest ..............................   Passed    0.03 sec
 test 49
       Start 49: PullTest
 
@@ -124348,21 +124568,21 @@
 49: [ RUN      ] PullTest.MaxPullDistanceXySkewedBox
 49: [       OK ] PullTest.MaxPullDistanceXySkewedBox (0 ms)
 49: [ RUN      ] PullTest.TransformationCoordSimple
-49: [       OK ] PullTest.TransformationCoordSimple (2 ms)
+49: [       OK ] PullTest.TransformationCoordSimple (0 ms)
 49: [ RUN      ] PullTest.TransformationCoordAdvanced
 49: [       OK ] PullTest.TransformationCoordAdvanced (0 ms)
 49: [ RUN      ] PullTest.TransformationCoordTime
 49: [       OK ] PullTest.TransformationCoordTime (0 ms)
 49: [ RUN      ] PullTest.TransformationCoordTimeNotAllowed
-49: [       OK ] PullTest.TransformationCoordTimeNotAllowed (2 ms)
+49: [       OK ] PullTest.TransformationCoordTimeNotAllowed (0 ms)
 49: [ RUN      ] PullTest.TransformationCoordDummyExpression
 49: [       OK ] PullTest.TransformationCoordDummyExpression (0 ms)
-49: [----------] 10 tests from PullTest (5 ms total)
+49: [----------] 10 tests from PullTest (0 ms total)
 49: 
 49: [----------] Global test environment tear-down
-49: [==========] 10 tests from 1 test suite ran. (12 ms total)
+49: [==========] 10 tests from 1 test suite ran. (0 ms total)
 49: [  PASSED  ] 10 tests.
-49/92 Test #49: PullTest ..................................   Passed    0.03 sec
+49/92 Test #49: PullTest ..................................   Passed    0.01 sec
 test 50
       Start 50: SimdUnitTests
 
@@ -124739,7 +124959,7 @@
 50: 
 50: [----------] 56 tests from SimdMathTest
 50: [ RUN      ] SimdMathTest.generateTestPointsDouble
-50: [       OK ] SimdMathTest.generateTestPointsDouble (14 ms)
+50: [       OK ] SimdMathTest.generateTestPointsDouble (0 ms)
 50: [ RUN      ] SimdMathTest.copysign
 50: [       OK ] SimdMathTest.copysign (0 ms)
 50: [ RUN      ] SimdMathTest.invsqrt
@@ -124759,7 +124979,7 @@
 50: [ RUN      ] SimdMathTest.cbrt
 50: [       OK ] SimdMathTest.cbrt (0 ms)
 50: [ RUN      ] SimdMathTest.invcbrt
-50: [       OK ] SimdMathTest.invcbrt (1 ms)
+50: [       OK ] SimdMathTest.invcbrt (0 ms)
 50: [ RUN      ] SimdMathTest.log2
 50: [       OK ] SimdMathTest.log2 (0 ms)
 50: [ RUN      ] SimdMathTest.log
@@ -124779,7 +124999,7 @@
 50: [ RUN      ] SimdMathTest.erf
 50: [       OK ] SimdMathTest.erf (0 ms)
 50: [ RUN      ] SimdMathTest.erfc
-50: [       OK ] SimdMathTest.erfc (1 ms)
+50: [       OK ] SimdMathTest.erfc (0 ms)
 50: [ RUN      ] SimdMathTest.sin
 50: [       OK ] SimdMathTest.sin (0 ms)
 50: [ RUN      ] SimdMathTest.cos
@@ -124817,7 +125037,7 @@
 50: [ RUN      ] SimdMathTest.logSingleAccuracy
 50: [       OK ] SimdMathTest.logSingleAccuracy (0 ms)
 50: [ RUN      ] SimdMathTest.exp2SingleAccuracy
-50: [       OK ] SimdMathTest.exp2SingleAccuracy (4 ms)
+50: [       OK ] SimdMathTest.exp2SingleAccuracy (0 ms)
 50: [ RUN      ] SimdMathTest.exp2SingleAccuracyUnsafe
 50: [       OK ] SimdMathTest.exp2SingleAccuracyUnsafe (0 ms)
 50: [ RUN      ] SimdMathTest.expSingleAccuracy
@@ -124841,7 +125061,7 @@
 50: [ RUN      ] SimdMathTest.asinSingleAccuracy
 50: [       OK ] SimdMathTest.asinSingleAccuracy (0 ms)
 50: [ RUN      ] SimdMathTest.acosSingleAccuracy
-50: [       OK ] SimdMathTest.acosSingleAccuracy (4 ms)
+50: [       OK ] SimdMathTest.acosSingleAccuracy (0 ms)
 50: [ RUN      ] SimdMathTest.atanSingleAccuracy
 50: [       OK ] SimdMathTest.atanSingleAccuracy (0 ms)
 50: [ RUN      ] SimdMathTest.atan2SingleAccuracy
@@ -124850,7 +125070,7 @@
 50: [       OK ] SimdMathTest.pmeForceCorrectionSingleAccuracy (0 ms)
 50: [ RUN      ] SimdMathTest.pmePotentialCorrectionSingleAccuracy
 50: [       OK ] SimdMathTest.pmePotentialCorrectionSingleAccuracy (0 ms)
-50: [----------] 56 tests from SimdMathTest (52 ms total)
+50: [----------] 56 tests from SimdMathTest (23 ms total)
 50: 
 50: [----------] 1 test from EmptyArrayRefTest
 50: [ RUN      ] EmptyArrayRefTest.IsEmpty
@@ -124923,9 +125143,9 @@
 50: [----------] 3 tests from SimdVectorOperationsTest (0 ms total)
 50: 
 50: [----------] Global test environment tear-down
-50: [==========] 247 tests from 19 test suites ran. (59 ms total)
+50: [==========] 247 tests from 19 test suites ran. (24 ms total)
 50: [  PASSED  ] 247 tests.
-50/92 Test #50: SimdUnitTests .............................   Passed    0.09 sec
+50/92 Test #50: SimdUnitTests .............................   Passed    0.04 sec
 test 51
       Start 51: CompatibilityHelpersTests
 
@@ -124973,7 +125193,7 @@
 51: [----------] Global test environment tear-down
 51: [==========] 9 tests from 6 test suites ran. (0 ms total)
 51: [  PASSED  ] 9 tests.
-51/92 Test #51: CompatibilityHelpersTests .................   Passed    0.02 sec
+51/92 Test #51: CompatibilityHelpersTests .................   Passed    0.01 sec
 test 52
       Start 52: GmxAnaTest
 
@@ -124997,7 +125217,7 @@
 52: [       OK ] Entropy.EntropyCompare_200_Linear (0 ms)
 52: [ RUN      ] Entropy.EntropyCompare_300_Linear
 52: [       OK ] Entropy.EntropyCompare_300_Linear (0 ms)
-52: [----------] 7 tests from Entropy (3 ms total)
+52: [----------] 7 tests from Entropy (0 ms total)
 52: 
 52: [----------] 2 tests from GmxChiTest
 52: [ RUN      ] GmxChiTest.gmxchiWorksWithAll
@@ -125014,7 +125234,7 @@
 52: Now printing out rotamer occupancies...
 52: Now calculating Chi product trajectories...
 52: 
Printing chiproductLYS1.xvg    and histo-chiprodLYS1.xvg  
Printing chiproductVAL2.xvg    and histo-chiprodVAL2.xvg  
Printing chiproductPHE3.xvg    and histo-chiprodPHE3.xvg  
Printing chiproductARG5.xvg    and histo-chiprodARG5.xvg  
Printing chiproductCYS6.xvg    and histo-chiprodCYS6.xvg  
Printing chiproductGLU7.xvg    and histo-chiprodGLU7.xvg  
Printing chiproductLEU8.xvg    and histo-chiprodLEU8.xvg  
-52: [       OK ] GmxChiTest.gmxchiWorksWithAll (1446 ms)
+52: [       OK ] GmxChiTest.gmxchiWorksWithAll (393 ms)
 52: [ RUN      ] GmxChiTest.gmxchiWorksWithr0AndrN
 52: Analyzing from residue 2 to residue 6
 52: 5 residues with dihedrals found
@@ -125029,8 +125249,8 @@
 52: Now printing out rotamer occupancies...
 52: Now calculating Chi product trajectories...
 52: 
Printing chiproductVAL2.xvg    and histo-chiprodVAL2.xvg  
Printing chiproductPHE3.xvg    and histo-chiprodPHE3.xvg  
Printing chiproductARG5.xvg    and histo-chiprodARG5.xvg  
Printing chiproductCYS6.xvg    and histo-chiprodCYS6.xvg  
-52: [       OK ] GmxChiTest.gmxchiWorksWithr0AndrN (657 ms)
-52: [----------] 2 tests from GmxChiTest (2268 ms total)
+52: [       OK ] GmxChiTest.gmxchiWorksWithr0AndrN (194 ms)
+52: [----------] 2 tests from GmxChiTest (655 ms total)
 52: 
 52: [----------] 10 tests from MindistTest
 52: [ RUN      ] MindistTest.mindistWorksWithSingleAtoms
@@ -125044,7 +125264,7 @@
 52: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 52: Selected 0: 'atom1'
 52: Selected 1: 'atom2'
-52: [       OK ] MindistTest.mindistWorksWithSingleAtoms (24 ms)
+52: [       OK ] MindistTest.mindistWorksWithSingleAtoms (5 ms)
 52: [ RUN      ] MindistTest.mindistWorksWithMultipleAtoms
 52: Group     0 (          atom1) has     1 elements
 52: Group     1 (          atom2) has     1 elements
@@ -125068,7 +125288,7 @@
 52: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 52: Selected 0: 'atom1'
 52: Selected 1: 'atom2'
-52: [       OK ] MindistTest.mindistDoesNotPickUpContacts (1 ms)
+52: [       OK ] MindistTest.mindistDoesNotPickUpContacts (0 ms)
 52: [ RUN      ] MindistTest.mindistPicksUpContacts
 52: Group     0 (          atom1) has     1 elements
 52: Group     1 (          atom2) has     1 elements
@@ -125080,7 +125300,7 @@
 52: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 52: Selected 0: 'atom1'
 52: Selected 1: 'atom2'
-52: [       OK ] MindistTest.mindistPicksUpContacts (1 ms)
+52: [       OK ] MindistTest.mindistPicksUpContacts (0 ms)
 52: [ RUN      ] MindistTest.ngWorks
 52: Group     0 (          atom1) has     1 elements
 52: Group     1 (          atom2) has     1 elements
@@ -125093,7 +125313,7 @@
 52: Selected 0: 'atom1'
 52: Selected 1: 'atom2'
 52: Selected 2: 'atom3'
-52: [       OK ] MindistTest.ngWorks (1 ms)
+52: [       OK ] MindistTest.ngWorks (0 ms)
 52: [ RUN      ] MindistTest.groupWorks
 52: Group     0 (          atom1) has     1 elements
 52: Group     1 (          atom2) has     1 elements
@@ -125105,7 +125325,7 @@
 52: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 52: Selected 3: 'atoms12'
 52: Selected 2: 'atom3'
-52: [       OK ] MindistTest.groupWorks (1 ms)
+52: [       OK ] MindistTest.groupWorks (0 ms)
 52: [ RUN      ] MindistTest.maxDistWorks
 52: Group     0 (          atom1) has     1 elements
 52: Group     1 (          atom2) has     1 elements
@@ -125117,7 +125337,7 @@
 52: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 52: Selected 2: 'atom3'
 52: Selected 3: 'atoms12'
-52: [       OK ] MindistTest.maxDistWorks (1 ms)
+52: [       OK ] MindistTest.maxDistWorks (0 ms)
 52: [ RUN      ] MindistTest.noPbcWorks
 52: Group     0 (          atom1) has     1 elements
 52: Group     1 (          atom2) has     1 elements
@@ -125129,7 +125349,7 @@
 52: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 52: Selected 0: 'atom1'
 52: Selected 1: 'atom2'
-52: [       OK ] MindistTest.noPbcWorks (1 ms)
+52: [       OK ] MindistTest.noPbcWorks (0 ms)
 52: [ RUN      ] MindistTest.resPerTimeWorks
 52: Group     0 (          atom1) has     1 elements
 52: Group     1 (          atom2) has     1 elements
@@ -125141,7 +125361,7 @@
 52: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 52: Selected 3: 'atoms12'
 52: Selected 2: 'atom3'
-52: [       OK ] MindistTest.resPerTimeWorks (5 ms)
+52: [       OK ] MindistTest.resPerTimeWorks (0 ms)
 52: [ RUN      ] MindistTest.matrixWorks
 52: Group     0 (          atom1) has     1 elements
 52: Group     1 (          atom2) has     1 elements
@@ -125153,8 +125373,8 @@
 52: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 52: Selected 5: 'atoms123'
 52: Special case: making distance matrix between all atoms in group atoms123
-52: [       OK ] MindistTest.matrixWorks (4 ms)
-52: [----------] 10 tests from MindistTest (50 ms total)
+52: [       OK ] MindistTest.matrixWorks (0 ms)
+52: [----------] 10 tests from MindistTest (9 ms total)
 52: 
 52: [----------] 12 tests from NoFatalErrorWhenWritingFrom/GmxTraj
 52: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/0
@@ -125164,14 +125384,14 @@
 52: Select a group: trr version: GMX_trn_file (single precision)
 52: 
Reading frame       0 time    0.000   
Reading frame       1 time    1.000   
Last frame          1 time    1.000   
 52: Selected 0: 'System'
-52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/0 (2 ms)
+52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/0 (0 ms)
 52: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/1
 52: Group     0 (         System) has     6 elements
 52: Group     1 (          Water) has     6 elements
 52: Group     2 (            SOL) has     6 elements
 52: Select a group: 
Reading frame       0 time    0.000   
Reading frame       1 time    1.000   
Last frame          1 time    1.000   
 52: Selected 0: 'System'
-52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/1 (3 ms)
+52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/1 (0 ms)
 52: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/2
 52: Group     0 (         System) has     6 elements
 52: Group     1 (          Water) has     6 elements
@@ -125179,7 +125399,7 @@
 52: Select a group: Reading frames from gro file 'Generated by trjconv t=   0.00000 step= 0', 6 atoms.
 52: 
Reading frame       0 time    0.000   
Reading frame       1 time    1.000   
Last frame          1 time    1.000   
 52: Selected 0: 'System'
-52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/2 (1 ms)
+52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/2 (0 ms)
 52: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/3
 52: Group     0 (         System) has     6 elements
 52: Group     1 (          Water) has     6 elements
@@ -125187,21 +125407,21 @@
 52: Select a group: Reading frames from pdb file
Reading frame       0 time    0.000    'Generated by trjconv t=   1.00000 step= 1', 6 atoms
 52: 
Reading frame       1 time    1.000   
Last frame          1 time    1.000   
 52: Selected 0: 'System'
-52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/3 (1 ms)
+52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/3 (0 ms)
 52: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/4
 52: Group     0 (         System) has     6 elements
 52: Group     1 (          Water) has     6 elements
 52: Group     2 (            SOL) has     6 elements
 52: Select a group: 
Reading frame       0 time    0.000   
Reading frame       1 time    1.000   
Last frame          1 time    1.000   
 52: Selected 0: 'System'
-52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/4 (1 ms)
+52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/4 (0 ms)
 52: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/5
 52: Group     0 (         System) has     6 elements
 52: Group     1 (          Water) has     6 elements
 52: Group     2 (            SOL) has     6 elements
 52: Select a group: 
Reading frame       0 time    0.000   
Reading frame       1 time    1.000   
Last frame          1 time    1.000   
 52: Selected 0: 'System'
-52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/5 (10 ms)
+52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/5 (1 ms)
 52: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/0
 52: Group     0 (         System) has     6 elements
 52: Group     1 (          Water) has     6 elements
@@ -125224,7 +125444,7 @@
 52:          using another file format for your input.
 52: 
 52: Selected 0: 'System'
-52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/0 (2 ms)
+52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/0 (1 ms)
 52: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/1
 52: Group     0 (         System) has     6 elements
 52: Group     1 (          Water) has     6 elements
@@ -125247,7 +125467,7 @@
 52:          using another file format for your input.
 52: 
 52: Selected 0: 'System'
-52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/1 (2 ms)
+52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/1 (1 ms)
 52: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/2
 52: Group     0 (         System) has     6 elements
 52: Group     1 (          Water) has     6 elements
@@ -125271,7 +125491,7 @@
 52:          using another file format for your input.
 52: 
 52: Selected 0: 'System'
-52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/2 (2 ms)
+52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/2 (0 ms)
 52: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/3
 52: Group     0 (         System) has     6 elements
 52: Group     1 (          Water) has     6 elements
@@ -125295,7 +125515,7 @@
 52:          using another file format for your input.
 52: 
 52: Selected 0: 'System'
-52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/3 (5 ms)
+52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/3 (1 ms)
 52: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/4
 52: Group     0 (         System) has     6 elements
 52: Group     1 (          Water) has     6 elements
@@ -125318,7 +125538,7 @@
 52:          using another file format for your input.
 52: 
 52: Selected 0: 'System'
-52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/4 (2 ms)
+52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/4 (0 ms)
 52: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/5
 52: Group     0 (         System) has     6 elements
 52: Group     1 (          Water) has     6 elements
@@ -125341,13 +125561,13 @@
 52:          using another file format for your input.
 52: 
 52: Selected 0: 'System'
-52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/5 (8 ms)
-52: [----------] 12 tests from NoFatalErrorWhenWritingFrom/GmxTraj (61 ms total)
+52: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/5 (1 ms)
+52: [----------] 12 tests from NoFatalErrorWhenWritingFrom/GmxTraj (10 ms total)
 52: 
 52: [----------] Global test environment tear-down
-52: [==========] 31 tests from 4 test suites ran. (2390 ms total)
+52: [==========] 31 tests from 4 test suites ran. (676 ms total)
 52: [  PASSED  ] 31 tests.
-52/92 Test #52: GmxAnaTest ................................   Passed    2.42 sec
+52/92 Test #52: GmxAnaTest ................................   Passed    0.69 sec
 test 53
       Start 53: GmxPreprocessTests
 
@@ -125381,8 +125601,8 @@
 53: center of geometry: 1.733667, 1.477000, 0.905167
 53: center of geometry: 1.733667, 1.477000, 0.905167
 53: center of geometry: 1.733667, 1.477000, 0.905167
-53: [       OK ] GenconfTest.nbox_rot_Works (1 ms)
-53: [----------] 4 tests from GenconfTest (3 ms total)
+53: [       OK ] GenconfTest.nbox_rot_Works (0 ms)
+53: [----------] 4 tests from GenconfTest (1 ms total)
 53: 
 53: [----------] 2 tests from GenionTest
 53: [ RUN      ] GenionTest.HighConcentrationIonPlacement
@@ -125432,7 +125652,7 @@
 53: Replacing solvent molecule 155 (atom 465) with CL
 53: Replacing solvent molecule 99 (atom 297) with CL
 53: 
-53: Setting the LD random seed to 924709359
+53: Setting the LD random seed to 213352191
 53: 
 53: Generated 331705 of the 331705 non-bonded parameter combinations
 53: 
@@ -125452,7 +125672,7 @@
 53: Will try to add 4 NA ions and 4 CL ions.
 53: Select a continuous group of solvent molecules
 53: Selected 1: 'Water'
-53: [       OK ] GenionTest.HighConcentrationIonPlacement (597 ms)
+53: [       OK ] GenionTest.HighConcentrationIonPlacement (214 ms)
 53: [ RUN      ] GenionTest.NoIonPlacement
 53: 
 53: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_input.mdp]:
@@ -125484,7 +125704,7 @@
 53: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_spc216_with_methane.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 53: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_spc216_with_methane.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 53: No ions to add, will just copy input configuration.
-53: Setting the LD random seed to -25691789
+53: Setting the LD random seed to -273162383
 53: 
 53: Generated 331705 of the 331705 non-bonded parameter combinations
 53: 
@@ -125501,8 +125721,8 @@
 53: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 53: 
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] GenionTest.NoIonPlacement (764 ms)
-53: [----------] 2 tests from GenionTest (1368 ms total)
+53: [       OK ] GenionTest.NoIonPlacement (193 ms)
+53: [----------] 2 tests from GenionTest (407 ms total)
 53: 
 53: [----------] 1 test from GenRestrTest
 53: [ RUN      ] GenRestrTest.SimpleRestraintsGenerated
@@ -125520,8 +125740,8 @@
 53: Group     9 (    SideChain-H) has    35 elements
 53: Select a group: Select group to position restrain
 53: Selected 3: 'C-alpha'
-53: [       OK ] GenRestrTest.SimpleRestraintsGenerated (7 ms)
-53: [----------] 1 test from GenRestrTest (7 ms total)
+53: [       OK ] GenRestrTest.SimpleRestraintsGenerated (1 ms)
+53: [----------] 1 test from GenRestrTest (1 ms total)
 53: 
 53: [----------] 9 tests from PreprocessingAtomTypesTest
 53: [ RUN      ] PreprocessingAtomTypesTest.EmptyOnCreate
@@ -125590,7 +125810,7 @@
 53: 
 53: There were 2 NOTEs
 53: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GromppDirectiveTest_edgeCaseAtomTypeNames_directives.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-53: Setting the LD random seed to -33652741
+53: Setting the LD random seed to -302001442
 53: 
 53: Generated 10 of the 10 non-bonded parameter combinations
 53: 
@@ -125598,7 +125818,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to 2147392063
+53: Setting gen_seed to -1275865121
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -125614,7 +125834,7 @@
 53: Note that mdrun will redetermine rlist based on the actual pair-list setup
 53: 
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] GromppDirectiveTest.edgeCaseAtomTypeNames (5 ms)
+53: [       OK ] GromppDirectiveTest.edgeCaseAtomTypeNames (2 ms)
 53: [ RUN      ] GromppDirectiveTest.NoteOnDihedralNotSumToZero
 53: Ignoring obsolete mdp entry 'title'
 53: Generating 1-4 interactions: fudge = 0.5
@@ -125644,7 +125864,7 @@
 53: 
 53: 
 53: There were 3 NOTEs
-53: Setting the LD random seed to -717565953
+53: Setting the LD random seed to -16780405
 53: 
 53: Generated 10 of the 10 non-bonded parameter combinations
 53: 
@@ -125652,7 +125872,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to 2105425919
+53: Setting gen_seed to -33566865
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -125668,9 +125888,9 @@
 53: Note that mdrun will redetermine rlist based on the actual pair-list setup
 53: 
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] GromppDirectiveTest.NoteOnDihedralNotSumToZero (3 ms)
+53: [       OK ] GromppDirectiveTest.NoteOnDihedralNotSumToZero (2 ms)
 53: [ RUN      ] GromppDirectiveTest.WarnOnDihedralSumDifferentForFreeEnergy
-53: Setting the LD random seed to -75761894
+53: Setting the LD random seed to -1480870145
 53: 
 53: Generated 10 of the 10 non-bonded parameter combinations
 53: 
@@ -125678,7 +125898,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -830637828
+53: Setting gen_seed to -168100041
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -125694,8 +125914,8 @@
 53: Note that mdrun will redetermine rlist based on the actual pair-list setup
 53: 
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] GromppDirectiveTest.WarnOnDihedralSumDifferentForFreeEnergy (13 ms)
-53: [----------] 3 tests from GromppDirectiveTest (23 ms total)
+53: [       OK ] GromppDirectiveTest.WarnOnDihedralSumDifferentForFreeEnergy (6 ms)
+53: [----------] 3 tests from GromppDirectiveTest (12 ms total)
 53: 
 53: [----------] 6 tests from InsertMoleculesTest
 53: [ RUN      ] InsertMoleculesTest.InsertsMoleculesIntoExistingConfiguration
@@ -125729,7 +125949,7 @@
 53: Writing generated configuration to /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoExistingConfiguration_out.gro
 53: 
 53: Output configuration contains 8 atoms in 4 residues
-53: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoExistingConfiguration (6 ms)
+53: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoExistingConfiguration (1 ms)
 53: [ RUN      ] InsertMoleculesTest.InsertsMoleculesIntoEmptyBox
 53: Initialising inter-atomic distances...
 53: 
@@ -125764,7 +125984,7 @@
 53: Writing generated configuration to /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoEmptyBox_out.gro
 53: 
 53: Output configuration contains 10 atoms in 10 residues
-53: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoEmptyBox (5 ms)
+53: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoEmptyBox (0 ms)
 53: [ RUN      ] InsertMoleculesTest.InsertsMoleculesIntoEmptyBoxConcentration
 53: Initialising inter-atomic distances...
 53: 
@@ -125799,7 +126019,7 @@
 53: Writing generated configuration to /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoEmptyBoxConcentration_out.gro
 53: 
 53: Output configuration contains 10 atoms in 10 residues
-53: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoEmptyBoxConcentration (2 ms)
+53: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoEmptyBoxConcentration (0 ms)
 53: [ RUN      ] InsertMoleculesTest.InsertsMoleculesIntoEnlargedBox
 53: Reading solute configuration
 53: Initialising inter-atomic distances...
@@ -125832,7 +126052,7 @@
 53: Writing generated configuration to /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoEnlargedBox_out.gro
 53: 
 53: Output configuration contains 10 atoms in 4 residues
-53: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoEnlargedBox (2 ms)
+53: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoEnlargedBox (0 ms)
 53: [ RUN      ] InsertMoleculesTest.InsertsMoleculesWithReplacement
 53: Reading solute configuration
 53: Initialising inter-atomic distances...
@@ -125868,7 +126088,7 @@
 53: Writing generated configuration to /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesWithReplacement_out.gro
 53: 
 53: Output configuration contains 632 atoms in 212 residues
-53: [       OK ] InsertMoleculesTest.InsertsMoleculesWithReplacement (25 ms)
+53: [       OK ] InsertMoleculesTest.InsertsMoleculesWithReplacement (2 ms)
 53: [ RUN      ] InsertMoleculesTest.InsertsMoleculesIntoFixedPositions
 53: Initialising inter-atomic distances...
 53: 
@@ -125904,13 +126124,13 @@
 53: Writing generated configuration to /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoFixedPositions_out.gro
 53: 
 53: Output configuration contains 6 atoms in 3 residues
-53: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoFixedPositions (1 ms)
-53: [----------] 6 tests from InsertMoleculesTest (45 ms total)
+53: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoFixedPositions (0 ms)
+53: [----------] 6 tests from InsertMoleculesTest (6 ms total)
 53: 
 53: [----------] 3 tests from MassRepartitioning
 53: [ RUN      ] MassRepartitioning.ValidCaseWorks
 53: The smallest mass in the system is 2, setting the minimum mass to 6
-53: [       OK ] MassRepartitioning.ValidCaseWorks (1 ms)
+53: [       OK ] MassRepartitioning.ValidCaseWorks (0 ms)
 53: [ RUN      ] MassRepartitioning.UnboundGivesWarning
 53: 
 53: WARNING 1 [file unknown]:
@@ -125927,7 +126147,7 @@
 53: 
 53: The smallest mass in the system is 2, setting the minimum mass to 6
 53: [       OK ] MassRepartitioning.LightPartnerGivesError (0 ms)
-53: [----------] 3 tests from MassRepartitioning (1 ms total)
+53: [----------] 3 tests from MassRepartitioning (0 ms total)
 53: 
 53: [----------] 35 tests from GetIrTest
 53: [ RUN      ] GetIrTest.HandlesDifferentKindsOfMdpLines
@@ -125938,9 +126158,9 @@
 53:   For a correct single-point energy evaluation with nsteps = 0, use
 53:   continuation = yes to avoid constraining the input coordinates.
 53: 
-53: [       OK ] GetIrTest.HandlesDifferentKindsOfMdpLines (3 ms)
+53: [       OK ] GetIrTest.HandlesDifferentKindsOfMdpLines (2 ms)
 53: [ RUN      ] GetIrTest.RejectsNonCommentLineWithNoEquals
-53: [       OK ] GetIrTest.RejectsNonCommentLineWithNoEquals (65 ms)
+53: [       OK ] GetIrTest.RejectsNonCommentLineWithNoEquals (5 ms)
 53: [ RUN      ] GetIrTest.AcceptsKeyWithoutValue
 53: 
 53: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsKeyWithoutValue_input.mdp]:
@@ -125949,9 +126169,9 @@
 53: 
 53: [       OK ] GetIrTest.AcceptsKeyWithoutValue (2 ms)
 53: [ RUN      ] GetIrTest.RejectsValueWithoutKey
-53: [       OK ] GetIrTest.RejectsValueWithoutKey (9 ms)
+53: [       OK ] GetIrTest.RejectsValueWithoutKey (5 ms)
 53: [ RUN      ] GetIrTest.RejectsEmptyKeyAndEmptyValue
-53: [       OK ] GetIrTest.RejectsEmptyKeyAndEmptyValue (11 ms)
+53: [       OK ] GetIrTest.RejectsEmptyKeyAndEmptyValue (6 ms)
 53: [ RUN      ] GetIrTest.AcceptsDefineParametersWithValuesIncludingAssignment
 53: 
 53: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsDefineParametersWithValuesIncludingAssignment_input.mdp]:
@@ -125965,7 +126185,7 @@
 53:   For a correct single-point energy evaluation with nsteps = 0, use
 53:   continuation = yes to avoid constraining the input coordinates.
 53: 
-53: [       OK ] GetIrTest.AcceptsEmptyLines (10 ms)
+53: [       OK ] GetIrTest.AcceptsEmptyLines (2 ms)
 53: [ RUN      ] GetIrTest.MtsCheckNstcalcenergy
 53: 
 53: ERROR 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_MtsCheckNstcalcenergy_input.mdp]:
@@ -126022,7 +126242,7 @@
 53:   compressibility must be > 0 when using pressure coupling Berendsen
 53: 
 53: 
-53: [       OK ] GetIrTest.MtsCheckNstpcouple (6 ms)
+53: [       OK ] GetIrTest.MtsCheckNstpcouple (1 ms)
 53: [ RUN      ] GetIrTest.MtsCheckNstdhdl
 53: 
 53: ERROR 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_MtsCheckNstdhdl_input.mdp]:
@@ -126042,7 +126262,7 @@
 53:   Lambda state must be set, either with init-lambda-state or with
 53:   init-lambda
 53: 
-53: [       OK ] GetIrTest.MtsCheckNstdhdl (2 ms)
+53: [       OK ] GetIrTest.MtsCheckNstdhdl (1 ms)
 53: [ RUN      ] GetIrTest.MtsCheckSDNotSupported
 53: 
 53: ERROR 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_MtsCheckSDNotSupported_input.mdp]:
@@ -126053,21 +126273,21 @@
 53:   For a correct single-point energy evaluation with nsteps = 0, use
 53:   continuation = yes to avoid constraining the input coordinates.
 53: 
-53: [       OK ] GetIrTest.MtsCheckSDNotSupported (8 ms)
+53: [       OK ] GetIrTest.MtsCheckSDNotSupported (1 ms)
 53: [ RUN      ] GetIrTest.AcceptsElectricField
 53: 
 53: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsElectricField_input.mdp]:
 53:   For a correct single-point energy evaluation with nsteps = 0, use
 53:   continuation = yes to avoid constraining the input coordinates.
 53: 
-53: [       OK ] GetIrTest.AcceptsElectricField (7 ms)
+53: [       OK ] GetIrTest.AcceptsElectricField (2 ms)
 53: [ RUN      ] GetIrTest.AcceptsElectricFieldPulsed
 53: 
 53: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsElectricFieldPulsed_input.mdp]:
 53:   For a correct single-point energy evaluation with nsteps = 0, use
 53:   continuation = yes to avoid constraining the input coordinates.
 53: 
-53: [       OK ] GetIrTest.AcceptsElectricFieldPulsed (1 ms)
+53: [       OK ] GetIrTest.AcceptsElectricFieldPulsed (2 ms)
 53: [ RUN      ] GetIrTest.AcceptsElectricFieldOscillating
 53: 
 53: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsElectricFieldOscillating_input.mdp]:
@@ -126076,23 +126296,23 @@
 53: 
 53: [       OK ] GetIrTest.AcceptsElectricFieldOscillating (2 ms)
 53: [ RUN      ] GetIrTest.RejectsDuplicateOldAndNewKeys
-53: [       OK ] GetIrTest.RejectsDuplicateOldAndNewKeys (5 ms)
+53: [       OK ] GetIrTest.RejectsDuplicateOldAndNewKeys (3 ms)
 53: [ RUN      ] GetIrTest.AcceptsImplicitSolventNo
 53: 
 53: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsImplicitSolventNo_input.mdp]:
 53:   For a correct single-point energy evaluation with nsteps = 0, use
 53:   continuation = yes to avoid constraining the input coordinates.
 53: 
-53: [       OK ] GetIrTest.AcceptsImplicitSolventNo (6 ms)
+53: [       OK ] GetIrTest.AcceptsImplicitSolventNo (2 ms)
 53: [ RUN      ] GetIrTest.RejectsImplicitSolventYes
-53: [       OK ] GetIrTest.RejectsImplicitSolventYes (5 ms)
+53: [       OK ] GetIrTest.RejectsImplicitSolventYes (6 ms)
 53: [ RUN      ] GetIrTest.AcceptsMimic
 53: 
 53: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsMimic_input.mdp]:
 53:   For a correct single-point energy evaluation with nsteps = 0, use
 53:   continuation = yes to avoid constraining the input coordinates.
 53: 
-53: [       OK ] GetIrTest.AcceptsMimic (13 ms)
+53: [       OK ] GetIrTest.AcceptsMimic (2 ms)
 53: [ RUN      ] GetIrTest.AcceptsTransformationCoord
 53: 
 53: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsTransformationCoord_input.mdp, line 11]:
@@ -126106,7 +126326,7 @@
 53:   For a correct single-point energy evaluation with nsteps = 0, use
 53:   continuation = yes to avoid constraining the input coordinates.
 53: 
-53: [       OK ] GetIrTest.AcceptsTransformationCoord (5 ms)
+53: [       OK ] GetIrTest.AcceptsTransformationCoord (2 ms)
 53: [ RUN      ] GetIrTest.InvalidTransformationCoordWithConstraint
 53: 
 53: ERROR 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_InvalidTransformationCoordWithConstraint_input.mdp, line 7]:
@@ -126129,7 +126349,7 @@
 53:   For a correct single-point energy evaluation with nsteps = 0, use
 53:   continuation = yes to avoid constraining the input coordinates.
 53: 
-53: [       OK ] GetIrTest.InvalidPullCoordWithConstraintInTransformationExpression (1 ms)
+53: [       OK ] GetIrTest.InvalidPullCoordWithConstraintInTransformationExpression (2 ms)
 53: [ RUN      ] GetIrTest.InvalidTransformationCoordDxValue
 53: 
 53: ERROR 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_InvalidTransformationCoordDxValue_input.mdp, line 7]:
@@ -126141,7 +126361,7 @@
 53:   For a correct single-point energy evaluation with nsteps = 0, use
 53:   continuation = yes to avoid constraining the input coordinates.
 53: 
-53: [       OK ] GetIrTest.InvalidTransformationCoordDxValue (5 ms)
+53: [       OK ] GetIrTest.InvalidTransformationCoordDxValue (2 ms)
 53: [ RUN      ] GetIrTest.MissingTransformationCoordExpression
 53: 
 53: ERROR 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_MissingTransformationCoordExpression_input.mdp, line 5]:
@@ -126153,9 +126373,9 @@
 53:   For a correct single-point energy evaluation with nsteps = 0, use
 53:   continuation = yes to avoid constraining the input coordinates.
 53: 
-53: [       OK ] GetIrTest.MissingTransformationCoordExpression (1 ms)
+53: [       OK ] GetIrTest.MissingTransformationCoordExpression (2 ms)
 53: [ RUN      ] GetIrTest.lambdaOverOneCheck_SC_And_ExactlyAsManyStep
-53: [       OK ] GetIrTest.lambdaOverOneCheck_SC_And_ExactlyAsManyStep (1 ms)
+53: [       OK ] GetIrTest.lambdaOverOneCheck_SC_And_ExactlyAsManyStep (2 ms)
 53: [ RUN      ] GetIrTest.lambdaOverOneCheck_SC_And_ExactlyAsManyStep_negativeDelta
 53: [       OK ] GetIrTest.lambdaOverOneCheck_SC_And_ExactlyAsManyStep_negativeDelta (1 ms)
 53: [ RUN      ] GetIrTest.lambdaOverOneCheck_NoSC_And_ExactlyAsManyStep
@@ -126212,7 +126432,7 @@
 53: [       OK ] GetIrTest.lambdaOverOneCheck_LambdaVector_And_ExactlyAsManyStep (1 ms)
 53: [ RUN      ] GetIrTest.lambdaOverOneCheck_LambdaVector_And_ExactlyAsManyStep_negativeDelta
 53: [       OK ] GetIrTest.lambdaOverOneCheck_LambdaVector_And_ExactlyAsManyStep_negativeDelta (1 ms)
-53: [----------] 35 tests from GetIrTest (218 ms total)
+53: [----------] 35 tests from GetIrTest (89 ms total)
 53: 
 53: [----------] 6 tests from SolvateTest
 53: [ RUN      ] SolvateTest.cs_box_Works
@@ -126255,7 +126475,7 @@
 53: Density                :     1056.36 (g/l)
 53: Number of solvent molecules:     47   
 53: 
-53: [       OK ] SolvateTest.cs_box_Works (5 ms)
+53: [       OK ] SolvateTest.cs_box_Works (2 ms)
 53: [ RUN      ] SolvateTest.cs_cp_Works
 53: Reading solute configuration
 53: Reading solvent configuration
@@ -126298,7 +126518,7 @@
 53: Density                :     974.777 (g/l)
 53: Number of solvent molecules:    886   
 53: 
-53: [       OK ] SolvateTest.cs_cp_Works (21 ms)
+53: [       OK ] SolvateTest.cs_cp_Works (11 ms)
 53: [ RUN      ] SolvateTest.cs_cp_p_Works
 53: Reading solute configuration
 53: Reading solvent configuration
@@ -126343,7 +126563,7 @@
 53: 
 53: Processing topology
 53: Adding line for 886 solvent molecules with resname (SOL) to topology file (/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_cs_cp_p_Works_spc-and-methanol.top)
-53: [       OK ] SolvateTest.cs_cp_p_Works (23 ms)
+53: [       OK ] SolvateTest.cs_cp_p_Works (11 ms)
 53: [ RUN      ] SolvateTest.shell_Works
 53: Reading solute configuration
 53: Reading solvent configuration
@@ -126387,7 +126607,7 @@
 53: Density                :       279.3 (g/l)
 53: Number of solvent molecules:    252   
 53: 
-53: [       OK ] SolvateTest.shell_Works (10 ms)
+53: [       OK ] SolvateTest.shell_Works (6 ms)
 53: [ RUN      ] SolvateTest.update_Topology_Works
 53: Reading solute configuration
 53: Reading solvent configuration
@@ -126434,7 +126654,7 @@
 53: Processing topology
 53: Adding line for 1876 solvent molecules with resname (HOH) to topology file (/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_update_Topology_Works_simple.top)
 53: Adding line for 2169 solvent molecules with resname (SOL) to topology file (/build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_update_Topology_Works_simple.top)
-53: [       OK ] SolvateTest.update_Topology_Works (96 ms)
+53: [       OK ] SolvateTest.update_Topology_Works (46 ms)
 53: [ RUN      ] SolvateTest.cs_pdb_big_box_Works
 53: Reading solvent configuration
 53: 
@@ -126475,8 +126695,8 @@
 53: Density                :     826.409 (g/l)
 53: Number of solvent molecules:    221   
 53: 
-53: [       OK ] SolvateTest.cs_pdb_big_box_Works (20 ms)
-53: [----------] 6 tests from SolvateTest (182 ms total)
+53: [       OK ] SolvateTest.cs_pdb_big_box_Works (4 ms)
+53: [----------] 6 tests from SolvateTest (83 ms total)
 53: 
 53: [----------] 1 test from TopDirTests
 53: [ RUN      ] TopDirTests.NamesArrayHasCorrectSize
@@ -126754,54 +126974,54 @@
 53: ./src/gromacs/gmxpreprocess/tests/convparm.cpp:132: Skipped
 53: Skipping interaction type that does not represent a interaction with parameters converted in grompp
 53: [  SKIPPED ] InteractionFunctionKind/ConvertInteractionsTest.Works/dVtemp_dl (0 ms)
-53: [----------] 95 tests from InteractionFunctionKind/ConvertInteractionsTest (0 ms total)
+53: [----------] 95 tests from InteractionFunctionKind/ConvertInteractionsTest (1 ms total)
 53: 
 53: [----------] 16 tests from CorrectVelocity/MaxwellTest
 53: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/0
-53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/0 (15 ms)
+53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/0 (0 ms)
 53: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/1
-53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/1 (2 ms)
+53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/1 (0 ms)
 53: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/2
-53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/2 (1 ms)
+53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/2 (0 ms)
 53: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/3
-53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/3 (1 ms)
+53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/3 (0 ms)
 53: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/4
-53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/4 (1 ms)
+53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/4 (0 ms)
 53: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/5
-53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/5 (1 ms)
+53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/5 (0 ms)
 53: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/6
 53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/6 (0 ms)
 53: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/7
-53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/7 (1 ms)
+53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/7 (0 ms)
 53: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/8
 53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/8 (0 ms)
 53: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/9
-53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/9 (5 ms)
+53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/9 (0 ms)
 53: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/10
-53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/10 (1 ms)
+53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/10 (0 ms)
 53: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/11
-53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/11 (1 ms)
+53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/11 (0 ms)
 53: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/12
-53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/12 (1 ms)
+53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/12 (0 ms)
 53: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/13
-53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/13 (9 ms)
+53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/13 (0 ms)
 53: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/14
-53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/14 (1 ms)
+53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/14 (0 ms)
 53: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/15
-53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/15 (1 ms)
-53: [----------] 16 tests from CorrectVelocity/MaxwellTest (66 ms total)
+53: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/15 (0 ms)
+53: [----------] 16 tests from CorrectVelocity/MaxwellTest (7 ms total)
 53: 
 53: [----------] 23 tests from CMAPDefinesAndErrors/GromppDirectiveTest
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/0
-53: Setting the LD random seed to 1946091355
+53: Setting the LD random seed to -287990345
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
 53: Generated 3 of the 3 1-4 parameter combinations
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/0 (20 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/0 (5 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/1
-53: Setting the LD random seed to -135891755
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/1 (13 ms)
+53: Setting the LD random seed to -1375995010
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/1 (5 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/2
 53: Ignoring obsolete mdp entry 'title'
 53: Generating 1-4 interactions: fudge = 0.5
@@ -126823,7 +127043,7 @@
 53: 
 53: 
 53: There were 2 NOTEs
-53: Setting the LD random seed to -1098979842
+53: Setting the LD random seed to -1445025858
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -126831,7 +127051,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -1073741827
+53: Setting gen_seed to -63965322
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -126847,7 +127067,7 @@
 53: Note that mdrun will redetermine rlist based on the actual pair-list setup
 53: 
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/2 (10 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/2 (2 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/3
 53: Ignoring obsolete mdp entry 'title'
 53: Generating 1-4 interactions: fudge = 0.5
@@ -126869,7 +127089,7 @@
 53: 
 53: 
 53: There were 2 NOTEs
-53: Setting the LD random seed to -6504545
+53: Setting the LD random seed to 1674967036
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -126877,7 +127097,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -75948097
+53: Setting gen_seed to -17057819
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -126915,7 +127135,7 @@
 53: 
 53: 
 53: There were 2 NOTEs
-53: Setting the LD random seed to -606278306
+53: Setting the LD random seed to -75498669
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -126923,7 +127143,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to 2147463783
+53: Setting gen_seed to -551041
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -126939,7 +127159,7 @@
 53: Note that mdrun will redetermine rlist based on the actual pair-list setup
 53: 
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/4 (7 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/4 (2 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/5
 53: Ignoring obsolete mdp entry 'title'
 53: Generating 1-4 interactions: fudge = 0.5
@@ -126961,7 +127181,7 @@
 53: 
 53: 
 53: There were 2 NOTEs
-53: Setting the LD random seed to -9568273
+53: Setting the LD random seed to -1363477127
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -126969,7 +127189,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -268787714
+53: Setting gen_seed to -617087034
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -126985,12 +127205,12 @@
 53: Note that mdrun will redetermine rlist based on the actual pair-list setup
 53: 
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/5 (8 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/5 (2 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/6
-53: Setting the LD random seed to -13824006
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/6 (14 ms)
+53: Setting the LD random seed to -1354834981
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/6 (5 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/7
-53: Setting the LD random seed to -1074856060
+53: Setting the LD random seed to -335822339
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -126998,15 +127218,15 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -1879625753
+53: Setting gen_seed to -1073790977
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/7 (14 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/7 (7 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/8
-53: Setting the LD random seed to 1263520481
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/8 (15 ms)
+53: Setting the LD random seed to -738224916
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/8 (7 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/9
-53: Setting the LD random seed to -218776067
+53: Setting the LD random seed to -57729096
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -127014,12 +127234,12 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -83898417
+53: Setting gen_seed to -109652119
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/9 (19 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/9 (7 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/10
-53: Setting the LD random seed to 2133521827
+53: Setting the LD random seed to -140514015
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -127027,12 +127247,12 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -680794419
+53: Setting gen_seed to -21119073
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/10 (11 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/10 (6 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/11
-53: Setting the LD random seed to -210963139
+53: Setting the LD random seed to 786100093
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -127040,12 +127260,12 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to 2097143805
+53: Setting gen_seed to 1270870700
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/11 (36 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/11 (9 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/12
-53: Setting the LD random seed to -5789185
+53: Setting the LD random seed to -274229578
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -127053,12 +127273,12 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -805703937
+53: Setting gen_seed to -1242968065
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/12 (26 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/12 (8 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/13
-53: Setting the LD random seed to -86114561
+53: Setting the LD random seed to -579340675
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -127066,12 +127286,12 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -974160642
+53: Setting gen_seed to -323495489
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/13 (20 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/13 (7 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/14
-53: Setting the LD random seed to 2134899831
+53: Setting the LD random seed to 1736310571
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -127079,12 +127299,12 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to 1711243103
+53: Setting gen_seed to 2121235883
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/14 (19 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/14 (9 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/15
-53: Setting the LD random seed to -1681928513
+53: Setting the LD random seed to -1208239414
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -127092,10 +127312,10 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -41948196
+53: Setting gen_seed to 1607962623
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/15 (23 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/15 (8 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/16
 53: Ignoring obsolete mdp entry 'title'
 53: Generating 1-4 interactions: fudge = 0.5
@@ -127117,7 +127337,7 @@
 53: 
 53: 
 53: There were 2 NOTEs
-53: Setting the LD random seed to -268471177
+53: Setting the LD random seed to -1935804050
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -127125,7 +127345,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to 1604316151
+53: Setting gen_seed to -69206097
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -127141,7 +127361,7 @@
 53: Note that mdrun will redetermine rlist based on the actual pair-list setup
 53: 
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/16 (2 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/16 (5 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/17
 53: Ignoring obsolete mdp entry 'title'
 53: Generating 1-4 interactions: fudge = 0.5
@@ -127163,7 +127383,7 @@
 53: 
 53: 
 53: There were 2 NOTEs
-53: Setting the LD random seed to 1995816919
+53: Setting the LD random seed to 802881243
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -127171,7 +127391,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -136315398
+53: Setting gen_seed to -161548385
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -127187,16 +127407,16 @@
 53: Note that mdrun will redetermine rlist based on the actual pair-list setup
 53: 
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/17 (10 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/17 (5 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/18
-53: Setting the LD random seed to -304131395
+53: Setting the LD random seed to -268984325
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
 53: Generated 3 of the 3 1-4 parameter combinations
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/18 (21 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/18 (9 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/19
-53: Setting the LD random seed to -1918894668
+53: Setting the LD random seed to 398371703
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -127204,7 +127424,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -172097
+53: Setting gen_seed to -925631108
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -127220,14 +127440,14 @@
 53: Note that mdrun will redetermine rlist based on the actual pair-list setup
 53: 
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/19 (15 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/19 (7 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/20
-53: Setting the LD random seed to -35702941
+53: Setting the LD random seed to -270667825
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
 53: Generated 3 of the 3 1-4 parameter combinations
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/20 (11 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/20 (6 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/21
 53: Ignoring obsolete mdp entry 'title'
 53: Generating 1-4 interactions: fudge = 0.5
@@ -127249,7 +127469,7 @@
 53: 
 53: 
 53: There were 2 NOTEs
-53: Setting the LD random seed to -850396731
+53: Setting the LD random seed to -1140918274
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
@@ -127257,7 +127477,7 @@
 53: 
 53: Excluding 0 bonded neighbours molecule type 'A'
 53: 
-53: Setting gen_seed to -885115937
+53: Setting gen_seed to -227541801
 53: 
 53: Velocities were taken from a Maxwell distribution at 300 K
 53: Analysing residue names:
@@ -127273,18 +127493,18 @@
 53: Note that mdrun will redetermine rlist based on the actual pair-list setup
 53: 
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/21 (13 ms)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/21 (2 ms)
 53: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/22
-53: Setting the LD random seed to 800063459
+53: Setting the LD random seed to -67318786
 53: 
 53: Generated 3 of the 3 non-bonded parameter combinations
 53: 
 53: Generated 3 of the 3 1-4 parameter combinations
-53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/22 (13 ms)
-53: [----------] 23 tests from CMAPDefinesAndErrors/GromppDirectiveTest (359 ms total)
+53: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/22 (8 ms)
+53: [----------] 23 tests from CMAPDefinesAndErrors/GromppDirectiveTest (146 ms total)
 53: 
 53: [----------] Global test environment tear-down
-53: [==========] 215 tests from 15 test suites ran. (2279 ms total)
+53: [==========] 215 tests from 15 test suites ran. (758 ms total)
 53: [  PASSED  ] 175 tests.
 53: [  SKIPPED ] 40 tests, listed below:
 53: [  SKIPPED ] InteractionFunctionKind/ConvertInteractionsTest.Works/GB_1_2_Pol_
@@ -127327,7 +127547,7 @@
 53: [  SKIPPED ] InteractionFunctionKind/ConvertInteractionsTest.Works/dVbonded_dl
 53: [  SKIPPED ] InteractionFunctionKind/ConvertInteractionsTest.Works/dVrestraint_dl
 53: [  SKIPPED ] InteractionFunctionKind/ConvertInteractionsTest.Works/dVtemp_dl
-53/92 Test #53: GmxPreprocessTests ........................   Passed    2.32 sec
+53/92 Test #53: GmxPreprocessTests ........................   Passed    0.78 sec
 test 54
       Start 54: Pdb2gmx1Test
 
@@ -127416,7 +127636,7 @@
 54: The Oplsaa force field and the tip3p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (90 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (25 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -127499,7 +127719,7 @@
 54: The Oplsaa force field and the tip3p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (55 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (21 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -127578,7 +127798,7 @@
 54: The Oplsaa force field and the tip3p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (53 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (17 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -127659,7 +127879,7 @@
 54: The Oplsaa force field and the tip3p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (44 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (14 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -127742,7 +127962,7 @@
 54: The Oplsaa force field and the tip3p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (138 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (45 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -127825,7 +128045,7 @@
 54: The Oplsaa force field and the tip3p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (45 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (16 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -127911,7 +128131,7 @@
 54: The Oplsaa force field and the tip3p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (57 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (18 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -127993,7 +128213,7 @@
 54: The Oplsaa force field and the tip3p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (46 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (16 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -128077,7 +128297,7 @@
 54: The Oplsaa force field and the tip3p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (44 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (15 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -128163,7 +128383,7 @@
 54: The Oplsaa force field and the tip3p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (151 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (49 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -128243,7 +128463,7 @@
 54: The Oplsaa force field and the tip4p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (43 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (15 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -128326,7 +128546,7 @@
 54: The Oplsaa force field and the tip4p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (48 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (17 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -128405,7 +128625,7 @@
 54: The Oplsaa force field and the tip4p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (40 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (15 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -128486,7 +128706,7 @@
 54: The Oplsaa force field and the tip4p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (43 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (14 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -128569,7 +128789,7 @@
 54: The Oplsaa force field and the tip4p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (122 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (44 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -128652,7 +128872,7 @@
 54: The Oplsaa force field and the tip4p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (52 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (16 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -128738,7 +128958,7 @@
 54: The Oplsaa force field and the tip4p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (37 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (17 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -128820,7 +129040,7 @@
 54: The Oplsaa force field and the tip4p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (56 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (16 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -128904,7 +129124,7 @@
 54: The Oplsaa force field and the tip4p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (41 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (15 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -128990,7 +129210,7 @@
 54: The Oplsaa force field and the tip4p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (142 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (51 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -129070,7 +129290,7 @@
 54: The Oplsaa force field and the tip5p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (43 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (15 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -129153,7 +129373,7 @@
 54: The Oplsaa force field and the tip5p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (52 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (17 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -129232,7 +129452,7 @@
 54: The Oplsaa force field and the tip5p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (49 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (16 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -129313,7 +129533,7 @@
 54: The Oplsaa force field and the tip5p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (41 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (14 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -129396,7 +129616,7 @@
 54: The Oplsaa force field and the tip5p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (126 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (44 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -129479,7 +129699,7 @@
 54: The Oplsaa force field and the tip5p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (40 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (16 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -129565,7 +129785,7 @@
 54: The Oplsaa force field and the tip5p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (36 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (18 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -129647,7 +129867,7 @@
 54: The Oplsaa force field and the tip5p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (34 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (17 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -129731,7 +129951,7 @@
 54: The Oplsaa force field and the tip5p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (58 ms)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (15 ms)
 54: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 54: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 54: All occupancies are one
@@ -129817,13 +130037,13 @@
 54: The Oplsaa force field and the tip5p water model are used.
 54: 
 54: 		--------- ETON ESAELP ------------
-54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (181 ms)
-54: [----------] 30 tests from Oplsaa/Pdb2gmxTest (2155 ms total)
+54: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (49 ms)
+54: [----------] 30 tests from Oplsaa/Pdb2gmxTest (694 ms total)
 54: 
 54: [----------] Global test environment tear-down
-54: [==========] 30 tests from 1 test suite ran. (2155 ms total)
+54: [==========] 30 tests from 1 test suite ran. (694 ms total)
 54: [  PASSED  ] 30 tests.
-54/92 Test #54: Pdb2gmx1Test ..............................   Passed    2.20 sec
+54/92 Test #54: Pdb2gmx1Test ..............................   Passed    0.71 sec
 test 55
       Start 55: Pdb2gmx2Test
 
@@ -130048,7 +130268,7 @@
 55: The Gromos43a1 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (79 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (22 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -130267,7 +130487,7 @@
 55: The Gromos43a1 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (64 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (20 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -130482,7 +130702,7 @@
 55: The Gromos43a1 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (57 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (18 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -130699,7 +130919,7 @@
 55: The Gromos43a1 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (57 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (17 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -130918,7 +131138,7 @@
 55: The Gromos43a1 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (109 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (36 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -131137,7 +131357,7 @@
 55: The Gromos43a1 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (49 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (18 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -131359,7 +131579,7 @@
 55: The Gromos43a1 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (63 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (20 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -131577,7 +131797,7 @@
 55: The Gromos43a1 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (21 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (18 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -131797,7 +132017,7 @@
 55: The Gromos43a1 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (75 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (18 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -132019,7 +132239,7 @@
 55: The Gromos43a1 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (80 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (36 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -132235,7 +132455,7 @@
 55: The Gromos43a1 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (39 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (17 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -132454,7 +132674,7 @@
 55: The Gromos43a1 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (37 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (19 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -132669,7 +132889,7 @@
 55: The Gromos43a1 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (25 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (18 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -132886,7 +133106,7 @@
 55: The Gromos43a1 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (53 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (17 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -133105,7 +133325,7 @@
 55: The Gromos43a1 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (80 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (34 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -133324,7 +133544,7 @@
 55: The Gromos43a1 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (35 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (18 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -133546,7 +133766,7 @@
 55: The Gromos43a1 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (50 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (20 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -133764,7 +133984,7 @@
 55: The Gromos43a1 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (37 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (18 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -133984,7 +134204,7 @@
 55: The Gromos43a1 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (39 ms)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (18 ms)
 55: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 55: All occupancies are one
@@ -134206,8 +134426,8 @@
 55: The Gromos43a1 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (80 ms)
-55: [----------] 20 tests from G43a1/Pdb2gmxTest (1178 ms total)
+55: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (36 ms)
+55: [----------] 20 tests from G43a1/Pdb2gmxTest (449 ms total)
 55: 
 55: [----------] 20 tests from G53a6/Pdb2gmxTest
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file
@@ -134435,7 +134655,7 @@
 55: The Gromos53a6 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (59 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (20 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -134664,7 +134884,7 @@
 55: The Gromos53a6 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (44 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (21 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -134889,7 +135109,7 @@
 55: The Gromos53a6 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (45 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (19 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -135116,7 +135336,7 @@
 55: The Gromos53a6 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (41 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (19 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -135345,7 +135565,7 @@
 55: The Gromos53a6 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (81 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (37 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -135574,7 +135794,7 @@
 55: The Gromos53a6 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (42 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (20 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -135806,7 +136026,7 @@
 55: The Gromos53a6 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (57 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (22 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -136034,7 +136254,7 @@
 55: The Gromos53a6 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (61 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (20 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -136264,7 +136484,7 @@
 55: The Gromos53a6 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (45 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (19 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -136496,7 +136716,7 @@
 55: The Gromos53a6 force field and the spc water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (62 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (39 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -136722,7 +136942,7 @@
 55: The Gromos53a6 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (60 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (19 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -136951,7 +137171,7 @@
 55: The Gromos53a6 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (60 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (21 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -137176,7 +137396,7 @@
 55: The Gromos53a6 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (59 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (20 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -137403,7 +137623,7 @@
 55: The Gromos53a6 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (50 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (19 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -137632,7 +137852,7 @@
 55: The Gromos53a6 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (107 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (37 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -137861,7 +138081,7 @@
 55: The Gromos53a6 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (61 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (20 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -138093,7 +138313,7 @@
 55: The Gromos53a6 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (63 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (22 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -138321,7 +138541,7 @@
 55: The Gromos53a6 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (49 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (20 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -138551,7 +138771,7 @@
 55: The Gromos53a6 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (41 ms)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (20 ms)
 55: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 55: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 55: All occupancies are one
@@ -138783,13 +139003,13 @@
 55: The Gromos53a6 force field and the spce water model are used.
 55: 
 55: 		--------- ETON ESAELP ------------
-55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (83 ms)
-55: [----------] 20 tests from G53a6/Pdb2gmxTest (1250 ms total)
+55: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (39 ms)
+55: [----------] 20 tests from G53a6/Pdb2gmxTest (482 ms total)
 55: 
 55: [----------] Global test environment tear-down
-55: [==========] 40 tests from 2 test suites ran. (2429 ms total)
+55: [==========] 40 tests from 2 test suites ran. (932 ms total)
 55: [  PASSED  ] 40 tests.
-55/92 Test #55: Pdb2gmx2Test ..............................   Passed    2.46 sec
+55/92 Test #55: Pdb2gmx2Test ..............................   Passed    0.95 sec
 test 56
       Start 56: Pdb2gmx3Test
 
@@ -138889,7 +139109,7 @@
 56: The Amber99sb-ildn force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (102 ms)
+56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (39 ms)
 56: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -138983,7 +139203,7 @@
 56: The Amber99sb-ildn force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (51 ms)
+56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (28 ms)
 56: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -139073,7 +139293,7 @@
 56: The Amber99sb-ildn force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (47 ms)
+56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (22 ms)
 56: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -139165,7 +139385,7 @@
 56: The Amber99sb-ildn force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (38 ms)
+56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (20 ms)
 56: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -139259,7 +139479,7 @@
 56: The Amber99sb-ildn force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (113 ms)
+56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (55 ms)
 56: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -139353,7 +139573,7 @@
 56: The Amber99sb-ildn force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (45 ms)
+56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (22 ms)
 56: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -139450,7 +139670,7 @@
 56: The Amber99sb-ildn force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (49 ms)
+56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (23 ms)
 56: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -139543,7 +139763,7 @@
 56: The Amber99sb-ildn force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (47 ms)
+56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (22 ms)
 56: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -139638,7 +139858,7 @@
 56: The Amber99sb-ildn force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (44 ms)
+56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (21 ms)
 56: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -139735,8 +139955,8 @@
 56: The Amber99sb-ildn force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (119 ms)
-56: [----------] 10 tests from Amber/Pdb2gmxTest (701 ms total)
+56: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (58 ms)
+56: [----------] 10 tests from Amber/Pdb2gmxTest (315 ms total)
 56: 
 56: [----------] 1 test from AmberTip4p/Pdb2gmxTest
 56: [ RUN      ] AmberTip4p/Pdb2gmxTest.Runs/ff_amber99sbildn_tip4p_vsite_none_id_or_ter_merge_no_tip4ppdb_format_gro_match_full
@@ -139814,8 +140034,8 @@
 56: The Amber99sb-ildn force field and the tip4p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] AmberTip4p/Pdb2gmxTest.Runs/ff_amber99sbildn_tip4p_vsite_none_id_or_ter_merge_no_tip4ppdb_format_gro_match_full (14 ms)
-56: [----------] 1 test from AmberTip4p/Pdb2gmxTest (17 ms total)
+56: [       OK ] AmberTip4p/Pdb2gmxTest.Runs/ff_amber99sbildn_tip4p_vsite_none_id_or_ter_merge_no_tip4ppdb_format_gro_match_full (9 ms)
+56: [----------] 1 test from AmberTip4p/Pdb2gmxTest (9 ms total)
 56: 
 56: [----------] 12 tests from Charmm/Pdb2gmxTest
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file
@@ -139915,7 +140135,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (50 ms)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (19 ms)
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -140016,7 +140236,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (42 ms)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (20 ms)
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -140113,7 +140333,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (53 ms)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (19 ms)
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -140212,7 +140432,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (54 ms)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (18 ms)
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -140313,7 +140533,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (144 ms)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (48 ms)
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_monomerpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -140400,7 +140620,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_monomerpdb_format_gro_match_file (31 ms)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_monomerpdb_format_gro_match_file (9 ms)
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -140501,7 +140721,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (41 ms)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (20 ms)
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -140605,7 +140825,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (39 ms)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (22 ms)
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -140705,7 +140925,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (38 ms)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (20 ms)
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -140807,7 +141027,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (41 ms)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (19 ms)
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -140911,7 +141131,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (114 ms)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (53 ms)
 56: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_monomerpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -141001,8 +141221,8 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_monomerpdb_format_gro_match_file (20 ms)
-56: [----------] 12 tests from Charmm/Pdb2gmxTest (722 ms total)
+56: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_monomerpdb_format_gro_match_file (10 ms)
+56: [----------] 12 tests from Charmm/Pdb2gmxTest (283 ms total)
 56: 
 56: [----------] 8 tests from ChainSep/Pdb2gmxTest
 56: [ RUN      ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_merge_all_chainTerpdb_format_gro_match_file
@@ -141116,7 +141336,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_merge_all_chainTerpdb_format_gro_match_file (40 ms)
+56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_merge_all_chainTerpdb_format_gro_match_file (19 ms)
 56: [ RUN      ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_merge_no_chainTerpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -141310,7 +141530,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_merge_no_chainTerpdb_format_gro_match_file (39 ms)
+56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_merge_no_chainTerpdb_format_gro_match_file (17 ms)
 56: [ RUN      ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_all_chainTerpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -141422,7 +141642,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_all_chainTerpdb_format_gro_match_file (46 ms)
+56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_all_chainTerpdb_format_gro_match_file (19 ms)
 56: [ RUN      ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_no_chainTerpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -141616,7 +141836,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_no_chainTerpdb_format_gro_match_file (33 ms)
+56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_no_chainTerpdb_format_gro_match_file (16 ms)
 56: [ RUN      ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_chainTerpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -141734,7 +141954,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_chainTerpdb_format_gro_match_file (29 ms)
+56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_chainTerpdb_format_gro_match_file (19 ms)
 56: [ RUN      ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_chainTerpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -141972,7 +142192,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_chainTerpdb_format_gro_match_file (23 ms)
+56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_chainTerpdb_format_gro_match_file (17 ms)
 56: [ RUN      ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_and_ter_merge_all_chainTerpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -142078,7 +142298,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_and_ter_merge_all_chainTerpdb_format_gro_match_file (41 ms)
+56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_and_ter_merge_all_chainTerpdb_format_gro_match_file (19 ms)
 56: [ RUN      ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_and_ter_merge_no_chainTerpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -142229,8 +142449,8 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_and_ter_merge_no_chainTerpdb_format_gro_match_file (29 ms)
-56: [----------] 8 tests from ChainSep/Pdb2gmxTest (310 ms total)
+56: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_and_ter_merge_no_chainTerpdb_format_gro_match_file (16 ms)
+56: [----------] 8 tests from ChainSep/Pdb2gmxTest (147 ms total)
 56: 
 56: [----------] 4 tests from ChainChanges/Pdb2gmxTest
 56: [ RUN      ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_merge_no_fragmentspdb_format_pdb_match_file
@@ -142374,7 +142594,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_merge_no_fragmentspdb_format_pdb_match_file (30 ms)
+56: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_merge_no_fragmentspdb_format_pdb_match_file (12 ms)
 56: [ RUN      ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_no_fragmentspdb_format_pdb_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -142516,7 +142736,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_no_fragmentspdb_format_pdb_match_file (27 ms)
+56: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_no_fragmentspdb_format_pdb_match_file (13 ms)
 56: [ RUN      ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_fragmentspdb_format_pdb_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -142658,7 +142878,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_fragmentspdb_format_pdb_match_file (23 ms)
+56: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_fragmentspdb_format_pdb_match_file (18 ms)
 56: [ RUN      ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_and_ter_merge_no_fragmentspdb_format_pdb_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -142800,8 +143020,8 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_and_ter_merge_no_fragmentspdb_format_pdb_match_file (28 ms)
-56: [----------] 4 tests from ChainChanges/Pdb2gmxTest (118 ms total)
+56: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_and_ter_merge_no_fragmentspdb_format_pdb_match_file (16 ms)
+56: [----------] 4 tests from ChainChanges/Pdb2gmxTest (61 ms total)
 56: 
 56: [----------] 4 tests from Cyclic/Pdb2gmxTest
 56: [ RUN      ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_cycrnapdb_format_gro_match_file
@@ -143058,7 +143278,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_cycrnapdb_format_gro_match_file (351 ms)
+56: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_cycrnapdb_format_gro_match_file (183 ms)
 56: [ RUN      ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_cycprotpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -143145,7 +143365,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_cycprotpdb_format_gro_match_file (93 ms)
+56: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_cycprotpdb_format_gro_match_file (49 ms)
 56: [ RUN      ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_cycrnapdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -143325,7 +143545,7 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_cycrnapdb_format_gro_match_file (778 ms)
+56: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_cycrnapdb_format_gro_match_file (278 ms)
 56: [ RUN      ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_cycprotpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -143412,13 +143632,13 @@
 56: The Charmm27 force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_cycprotpdb_format_gro_match_file (107 ms)
-56: [----------] 4 tests from Cyclic/Pdb2gmxTest (1345 ms total)
+56: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_cycprotpdb_format_gro_match_file (44 ms)
+56: [----------] 4 tests from Cyclic/Pdb2gmxTest (556 ms total)
 56: 
 56: [----------] Global test environment tear-down
-56: [==========] 39 tests from 6 test suites ran. (3222 ms total)
+56: [==========] 39 tests from 6 test suites ran. (1374 ms total)
 56: [  PASSED  ] 39 tests.
-56/92 Test #56: Pdb2gmx3Test ..............................   Passed    3.25 sec
+56/92 Test #56: Pdb2gmx3Test ..............................   Passed    1.40 sec
 test 57
       Start 57: CorrelationsTest
 
@@ -143429,59 +143649,59 @@
 57: [----------] Global test environment set-up.
 57: [----------] 10 tests from AutocorrTest
 57: [ RUN      ] AutocorrTest.EacNormal
-57: [       OK ] AutocorrTest.EacNormal (30 ms)
+57: [       OK ] AutocorrTest.EacNormal (7 ms)
 57: [ RUN      ] AutocorrTest.EacNoNormalize
-57: [       OK ] AutocorrTest.EacNoNormalize (10 ms)
+57: [       OK ] AutocorrTest.EacNoNormalize (8 ms)
 57: [ RUN      ] AutocorrTest.EacCos
-57: [       OK ] AutocorrTest.EacCos (33 ms)
+57: [       OK ] AutocorrTest.EacCos (11 ms)
 57: [ RUN      ] AutocorrTest.EacVector
-57: [       OK ] AutocorrTest.EacVector (32 ms)
+57: [       OK ] AutocorrTest.EacVector (20 ms)
 57: [ RUN      ] AutocorrTest.EacRcross
-57: [       OK ] AutocorrTest.EacRcross (3 ms)
+57: [       OK ] AutocorrTest.EacRcross (1 ms)
 57: [ RUN      ] AutocorrTest.EacP0
-57: [       OK ] AutocorrTest.EacP0 (19 ms)
+57: [       OK ] AutocorrTest.EacP0 (16 ms)
 57: [ RUN      ] AutocorrTest.EacP1
-57: [       OK ] AutocorrTest.EacP1 (27 ms)
+57: [       OK ] AutocorrTest.EacP1 (16 ms)
 57: [ RUN      ] AutocorrTest.EacP2
-57: [       OK ] AutocorrTest.EacP2 (52 ms)
+57: [       OK ] AutocorrTest.EacP2 (33 ms)
 57: [ RUN      ] AutocorrTest.EacP3
-57: [       OK ] AutocorrTest.EacP3 (2 ms)
+57: [       OK ] AutocorrTest.EacP3 (1 ms)
 57: [ RUN      ] AutocorrTest.EacP4
-57: [       OK ] AutocorrTest.EacP4 (16 ms)
-57: [----------] 10 tests from AutocorrTest (230 ms total)
+57: [       OK ] AutocorrTest.EacP4 (17 ms)
+57: [----------] 10 tests from AutocorrTest (136 ms total)
 57: 
 57: [----------] 10 tests from ExpfitTest
 57: [ RUN      ] ExpfitTest.EffnEXP1
 57: [       OK ] ExpfitTest.EffnEXP1 (0 ms)
 57: [ RUN      ] ExpfitTest.EffnEXP2
-57: [       OK ] ExpfitTest.EffnEXP2 (4 ms)
+57: [       OK ] ExpfitTest.EffnEXP2 (1 ms)
 57: [ RUN      ] ExpfitTest.EffnEXPEXP
-57: [       OK ] ExpfitTest.EffnEXPEXP (0 ms)
+57: [       OK ] ExpfitTest.EffnEXPEXP (1 ms)
 57: [ RUN      ] ExpfitTest.EffnEXP5
-57: [       OK ] ExpfitTest.EffnEXP5 (1 ms)
+57: [       OK ] ExpfitTest.EffnEXP5 (4 ms)
 57: [ RUN      ] ExpfitTest.EffnEXP7
-57: [       OK ] ExpfitTest.EffnEXP7 (1 ms)
+57: [       OK ] ExpfitTest.EffnEXP7 (3 ms)
 57: [ RUN      ] ExpfitTest.EffnEXP9
-57: [       OK ] ExpfitTest.EffnEXP9 (10 ms)
+57: [       OK ] ExpfitTest.EffnEXP9 (12 ms)
 57: [ RUN      ] ExpfitTest.EffnERF
-57: [       OK ] ExpfitTest.EffnERF (1 ms)
+57: [       OK ] ExpfitTest.EffnERF (2 ms)
 57: [ RUN      ] ExpfitTest.EffnERREST
-57: [       OK ] ExpfitTest.EffnERREST (1 ms)
+57: [       OK ] ExpfitTest.EffnERREST (2 ms)
 57: [ RUN      ] ExpfitTest.EffnVAC
-57: [       OK ] ExpfitTest.EffnVAC (7 ms)
+57: [       OK ] ExpfitTest.EffnVAC (6 ms)
 57: [ RUN      ] ExpfitTest.EffnPRES
-57: [       OK ] ExpfitTest.EffnPRES (10 ms)
-57: [----------] 10 tests from ExpfitTest (64 ms total)
+57: [       OK ] ExpfitTest.EffnPRES (9 ms)
+57: [----------] 10 tests from ExpfitTest (44 ms total)
 57: 
 57: [----------] 1 test from ManyAutocorrelationTest
 57: [ RUN      ] ManyAutocorrelationTest.Empty
-57: [       OK ] ManyAutocorrelationTest.Empty (3 ms)
-57: [----------] 1 test from ManyAutocorrelationTest (3 ms total)
+57: [       OK ] ManyAutocorrelationTest.Empty (0 ms)
+57: [----------] 1 test from ManyAutocorrelationTest (0 ms total)
 57: 
 57: [----------] Global test environment tear-down
-57: [==========] 21 tests from 3 test suites ran. (303 ms total)
+57: [==========] 21 tests from 3 test suites ran. (187 ms total)
 57: [  PASSED  ] 21 tests.
-57/92 Test #57: CorrelationsTest ..........................   Passed    0.34 sec
+57/92 Test #57: CorrelationsTest ..........................   Passed    0.20 sec
 test 58
       Start 58: AnalysisDataUnitTests
 
@@ -143497,7 +143717,7 @@
 58: [       OK ] AnalysisDataInitializationTest.ChecksMultiColumnModules (0 ms)
 58: [ RUN      ] AnalysisDataInitializationTest.ChecksMultipointModules
 58: [       OK ] AnalysisDataInitializationTest.ChecksMultipointModules (0 ms)
-58: [----------] 3 tests from AnalysisDataInitializationTest (1 ms total)
+58: [----------] 3 tests from AnalysisDataInitializationTest (0 ms total)
 58: 
 58: [----------] 8 tests from AnalysisDataCommonTest/0, where TypeParam = gmx::test::(anonymous namespace)::SimpleInputData
 58: [ RUN      ] AnalysisDataCommonTest/0.CallsModuleCorrectly
@@ -143516,7 +143736,7 @@
 58: [       OK ] AnalysisDataCommonTest/0.CanAddModuleAfterStoredData (0 ms)
 58: [ RUN      ] AnalysisDataCommonTest/0.LimitedStorageWorks
 58: [       OK ] AnalysisDataCommonTest/0.LimitedStorageWorks (0 ms)
-58: [----------] 8 tests from AnalysisDataCommonTest/0 (6 ms total)
+58: [----------] 8 tests from AnalysisDataCommonTest/0 (1 ms total)
 58: 
 58: [----------] 8 tests from AnalysisDataCommonTest/1, where TypeParam = gmx::test::(anonymous namespace)::DataSetsInputData
 58: [ RUN      ] AnalysisDataCommonTest/1.CallsModuleCorrectly
@@ -143554,7 +143774,7 @@
 58: [       OK ] AnalysisDataCommonTest/2.CanAddModuleAfterStoredData (0 ms)
 58: [ RUN      ] AnalysisDataCommonTest/2.LimitedStorageWorks
 58: [       OK ] AnalysisDataCommonTest/2.LimitedStorageWorks (0 ms)
-58: [----------] 8 tests from AnalysisDataCommonTest/2 (7 ms total)
+58: [----------] 8 tests from AnalysisDataCommonTest/2 (2 ms total)
 58: 
 58: [----------] 8 tests from AnalysisDataCommonTest/3, where TypeParam = gmx::test::(anonymous namespace)::MultipointDataSetsInputData
 58: [ RUN      ] AnalysisDataCommonTest/3.CallsModuleCorrectly
@@ -143573,7 +143793,7 @@
 58: [       OK ] AnalysisDataCommonTest/3.CanAddModuleAfterStoredData (0 ms)
 58: [ RUN      ] AnalysisDataCommonTest/3.LimitedStorageWorks
 58: [       OK ] AnalysisDataCommonTest/3.LimitedStorageWorks (0 ms)
-58: [----------] 8 tests from AnalysisDataCommonTest/3 (1 ms total)
+58: [----------] 8 tests from AnalysisDataCommonTest/3 (2 ms total)
 58: 
 58: [----------] 4 tests from AnalysisArrayDataTest
 58: [ RUN      ] AnalysisArrayDataTest.CallsModuleCorrectly
@@ -143592,21 +143812,21 @@
 58: [ RUN      ] AverageModuleTest.HandlesMultipointData
 58: [       OK ] AverageModuleTest.HandlesMultipointData (0 ms)
 58: [ RUN      ] AverageModuleTest.HandlesMultipleDataSets
-58: [       OK ] AverageModuleTest.HandlesMultipleDataSets (1 ms)
+58: [       OK ] AverageModuleTest.HandlesMultipleDataSets (0 ms)
 58: [ RUN      ] AverageModuleTest.HandlesDataSetAveraging
 58: [       OK ] AverageModuleTest.HandlesDataSetAveraging (0 ms)
 58: [ RUN      ] AverageModuleTest.CanCustomizeXAxis
 58: [       OK ] AverageModuleTest.CanCustomizeXAxis (0 ms)
 58: [ RUN      ] AverageModuleTest.CanCustomizeNonUniformXAxis
 58: [       OK ] AverageModuleTest.CanCustomizeNonUniformXAxis (0 ms)
-58: [----------] 6 tests from AverageModuleTest (14 ms total)
+58: [----------] 6 tests from AverageModuleTest (3 ms total)
 58: 
 58: [----------] 2 tests from FrameAverageModuleTest
 58: [ RUN      ] FrameAverageModuleTest.BasicTest
 58: [       OK ] FrameAverageModuleTest.BasicTest (0 ms)
 58: [ RUN      ] FrameAverageModuleTest.HandlesMultipleDataSets
 58: [       OK ] FrameAverageModuleTest.HandlesMultipleDataSets (0 ms)
-58: [----------] 2 tests from FrameAverageModuleTest (7 ms total)
+58: [----------] 2 tests from FrameAverageModuleTest (0 ms total)
 58: 
 58: [----------] 7 tests from AnalysisHistogramSettingsTest
 58: [ RUN      ] AnalysisHistogramSettingsTest.InitializesFromBins
@@ -143623,14 +143843,14 @@
 58: [       OK ] AnalysisHistogramSettingsTest.InitializesFromRangeWithBinWidthAndIntegerBins (0 ms)
 58: [ RUN      ] AnalysisHistogramSettingsTest.InitializesFromRangeWithRoundedRange
 58: [       OK ] AnalysisHistogramSettingsTest.InitializesFromRangeWithRoundedRange (0 ms)
-58: [----------] 7 tests from AnalysisHistogramSettingsTest (1 ms total)
+58: [----------] 7 tests from AnalysisHistogramSettingsTest (0 ms total)
 58: 
 58: [----------] 2 tests from SimpleHistogramModuleTest
 58: [ RUN      ] SimpleHistogramModuleTest.ComputesCorrectly
-58: [       OK ] SimpleHistogramModuleTest.ComputesCorrectly (1 ms)
+58: [       OK ] SimpleHistogramModuleTest.ComputesCorrectly (0 ms)
 58: [ RUN      ] SimpleHistogramModuleTest.ComputesCorrectlyWithAll
 58: [       OK ] SimpleHistogramModuleTest.ComputesCorrectlyWithAll (0 ms)
-58: [----------] 2 tests from SimpleHistogramModuleTest (3 ms total)
+58: [----------] 2 tests from SimpleHistogramModuleTest (1 ms total)
 58: 
 58: [----------] 3 tests from WeightedHistogramModuleTest
 58: [ RUN      ] WeightedHistogramModuleTest.ComputesCorrectly
@@ -143639,7 +143859,7 @@
 58: [       OK ] WeightedHistogramModuleTest.ComputesCorrectlyWithAll (0 ms)
 58: [ RUN      ] WeightedHistogramModuleTest.HandlesMultipleDataSets
 58: [       OK ] WeightedHistogramModuleTest.HandlesMultipleDataSets (0 ms)
-58: [----------] 3 tests from WeightedHistogramModuleTest (5 ms total)
+58: [----------] 3 tests from WeightedHistogramModuleTest (2 ms total)
 58: 
 58: [----------] 3 tests from BinAverageModuleTest
 58: [ RUN      ] BinAverageModuleTest.ComputesCorrectly
@@ -143648,7 +143868,7 @@
 58: [       OK ] BinAverageModuleTest.ComputesCorrectlyWithAll (0 ms)
 58: [ RUN      ] BinAverageModuleTest.HandlesMultipleDataSets
 58: [       OK ] BinAverageModuleTest.HandlesMultipleDataSets (0 ms)
-58: [----------] 3 tests from BinAverageModuleTest (2 ms total)
+58: [----------] 3 tests from BinAverageModuleTest (1 ms total)
 58: 
 58: [----------] 4 tests from AbstractAverageHistogramTest
 58: [ RUN      ] AbstractAverageHistogramTest.ClonesCorrectly
@@ -143659,7 +143879,7 @@
 58: [       OK ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidth (0 ms)
 58: [ RUN      ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidthWithIntegerBins
 58: [       OK ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidthWithIntegerBins (0 ms)
-58: [----------] 4 tests from AbstractAverageHistogramTest (5 ms total)
+58: [----------] 4 tests from AbstractAverageHistogramTest (2 ms total)
 58: 
 58: [----------] 3 tests from LifetimeModuleTest
 58: [ RUN      ] LifetimeModuleTest.BasicTest
@@ -143671,9 +143891,9 @@
 58: [----------] 3 tests from LifetimeModuleTest (1 ms total)
 58: 
 58: [----------] Global test environment tear-down
-58: [==========] 69 tests from 14 test suites ran. (62 ms total)
+58: [==========] 69 tests from 14 test suites ran. (22 ms total)
 58: [  PASSED  ] 69 tests.
-58/92 Test #58: AnalysisDataUnitTests .....................   Passed    0.09 sec
+58/92 Test #58: AnalysisDataUnitTests .....................   Passed    0.04 sec
 test 59
       Start 59: CoordinateIOTests
 
@@ -143694,8 +143914,8 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] OutputSelectorDeathTest.RejectsBadSelection (6 ms)
-59: [----------] 1 test from OutputSelectorDeathTest (8 ms total)
+59: [       OK ] OutputSelectorDeathTest.RejectsBadSelection (2 ms)
+59: [----------] 1 test from OutputSelectorDeathTest (2 ms total)
 59: 
 59: [----------] 5 tests from TrajectoryFrameWriterTest
 59: [ RUN      ] TrajectoryFrameWriterTest.RejectsWrongFiletype
@@ -143733,7 +143953,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] TrajectoryFrameWriterTest.BuilderFailsWithGroAndNoAtoms (1 ms)
+59: [       OK ] TrajectoryFrameWriterTest.BuilderFailsWithGroAndNoAtoms (0 ms)
 59: [ RUN      ] TrajectoryFrameWriterTest.BuilderImplictlyAddsAtoms
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -143758,7 +143978,7 @@
 59: [       OK ] TrajectoryFrameWriterTest.BuilderImplictlyAddsAtoms (1 ms)
 59: [ RUN      ] TrajectoryFrameWriterTest.TNGOutputWorks
 59: [       OK ] TrajectoryFrameWriterTest.TNGOutputWorks (0 ms)
-59: [----------] 5 tests from TrajectoryFrameWriterTest (13 ms total)
+59: [----------] 5 tests from TrajectoryFrameWriterTest (4 ms total)
 59: 
 59: [----------] 5 tests from OutputAdapterContainer
 59: [ RUN      ] OutputAdapterContainer.MakeEmpty
@@ -143855,8 +144075,8 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] SetAtomsTest.ThrowsWhenUserAtomReplacementNotPossible (2 ms)
-59: [----------] 5 tests from SetAtomsTest (11 ms total)
+59: [       OK ] SetAtomsTest.ThrowsWhenUserAtomReplacementNotPossible (0 ms)
+59: [----------] 5 tests from SetAtomsTest (4 ms total)
 59: 
 59: [----------] 2 tests from SetBothTimeTest
 59: [ RUN      ] SetBothTimeTest.StartTimeZeroWorks
@@ -143925,7 +144145,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/3 (0 ms)
+59: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/3 (1 ms)
 59: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/4
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -143937,7 +144157,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/4 (2 ms)
+59: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/4 (0 ms)
 59: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/5
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -143950,7 +144170,7 @@
 59:          using another file format for your input.
 59: 
 59: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/5 (0 ms)
-59: [----------] 6 tests from CoordinateFileFileFormats/TrajectoryFrameWriterTest (7 ms total)
+59: [----------] 6 tests from CoordinateFileFileFormats/TrajectoryFrameWriterTest (5 ms total)
 59: 
 59: [----------] 3 tests from ModuleSupported/SetAtomsSupportedFiles
 59: [ RUN      ] ModuleSupported/SetAtomsSupportedFiles.Works/0
@@ -143976,7 +144196,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/1 (1 ms)
+59: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/1 (0 ms)
 59: [ RUN      ] ModuleSupported/SetAtomsSupportedFiles.Works/2
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -143989,7 +144209,7 @@
 59:          using another file format for your input.
 59: 
 59: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/2 (0 ms)
-59: [----------] 3 tests from ModuleSupported/SetAtomsSupportedFiles (7 ms total)
+59: [----------] 3 tests from ModuleSupported/SetAtomsSupportedFiles (2 ms total)
 59: 
 59: [----------] 3 tests from ModuleUnSupported/SetAtomsUnSupportedFiles
 59: [ RUN      ] ModuleUnSupported/SetAtomsUnSupportedFiles.Works/0
@@ -144044,7 +144264,7 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/1 (2 ms)
+59: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/1 (1 ms)
 59: [ RUN      ] ModuleSupported/AnyOutputSupportedFiles.Works/2
 59: 
 59: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -144088,8 +144308,8 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/3 (2 ms)
-59: [----------] 4 tests from ModuleSupported/AnyOutputSupportedFiles (16 ms total)
+59: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/3 (1 ms)
+59: [----------] 4 tests from ModuleSupported/AnyOutputSupportedFiles (7 ms total)
 59: 
 59: [----------] 3 tests from ModuleSupported/SetVelocitySupportedFiles
 59: [ RUN      ] ModuleSupported/SetVelocitySupportedFiles.Works/0
@@ -144128,7 +144348,7 @@
 59:          using another file format for your input.
 59: 
 59: [       OK ] ModuleSupported/SetVelocitySupportedFiles.Works/2 (0 ms)
-59: [----------] 3 tests from ModuleSupported/SetVelocitySupportedFiles (9 ms total)
+59: [----------] 3 tests from ModuleSupported/SetVelocitySupportedFiles (2 ms total)
 59: 
 59: [----------] 3 tests from ModuleUnSupported/SetVelocityUnSupportedFiles
 59: [ RUN      ] ModuleUnSupported/SetVelocityUnSupportedFiles.Works/0
@@ -144201,8 +144421,8 @@
 59:          be removed in a future GROMACS version. Please, consider
 59:          using another file format for your input.
 59: 
-59: [       OK ] ModuleSupported/SetPrecisionSupportedFiles.Works/1 (2 ms)
-59: [----------] 2 tests from ModuleSupported/SetPrecisionSupportedFiles (3 ms total)
+59: [       OK ] ModuleSupported/SetPrecisionSupportedFiles.Works/1 (0 ms)
+59: [----------] 2 tests from ModuleSupported/SetPrecisionSupportedFiles (1 ms total)
 59: 
 59: [----------] 4 tests from ModuleUnSupported/SetPrecisionUnSupportedFiles
 59: [ RUN      ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/0
@@ -144264,12 +144484,12 @@
 59:          using another file format for your input.
 59: 
 59: [       OK ] ModuleSupported/NoOptionalOutput.Works/3 (0 ms)
-59: [----------] 4 tests from ModuleSupported/NoOptionalOutput (8 ms total)
+59: [----------] 4 tests from ModuleSupported/NoOptionalOutput (3 ms total)
 59: 
 59: [----------] Global test environment tear-down
-59: [==========] 67 tests from 20 test suites ran. (89 ms total)
+59: [==========] 67 tests from 20 test suites ran. (37 ms total)
 59: [  PASSED  ] 67 tests.
-59/92 Test #59: CoordinateIOTests .........................   Passed    0.11 sec
+59/92 Test #59: CoordinateIOTests .........................   Passed    0.05 sec
 test 60
       Start 60: TrajectoryAnalysisUnitTests
 
@@ -144291,7 +144511,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] AngleModuleTest.ComputesSimpleAngles (7 ms)
+60: [       OK ] AngleModuleTest.ComputesSimpleAngles (2 ms)
 60: [ RUN      ] AngleModuleTest.ComputesDihedrals
 60: Analyzed topology coordinates
 60: 
@@ -144356,7 +144576,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] AngleModuleTest.ComputesVectorSphereNormalZAxisAngles (2 ms)
+60: [       OK ] AngleModuleTest.ComputesVectorSphereNormalZAxisAngles (1 ms)
 60: [ RUN      ] AngleModuleTest.ComputesVectorTimeZeroAngles
 60: Reading frames from gro file 'Test system for different angles', 33 atoms.
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
@@ -144371,7 +144591,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] AngleModuleTest.ComputesVectorTimeZeroAngles (3 ms)
+60: [       OK ] AngleModuleTest.ComputesVectorTimeZeroAngles (1 ms)
 60: [ RUN      ] AngleModuleTest.ComputesMultipleAngles
 60: Analyzed topology coordinates
 60: 
@@ -144410,7 +144630,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] AngleModuleTest.HandlesOneVsMultipleVectorAngles (6 ms)
+60: [       OK ] AngleModuleTest.HandlesOneVsMultipleVectorAngles (1 ms)
 60: [ RUN      ] AngleModuleTest.HandlesOneVsMultipleVectorGroupsAngles
 60: Analyzed topology coordinates
 60: 
@@ -144424,7 +144644,7 @@
 60:          using another file format for your input.
 60: 
 60: [       OK ] AngleModuleTest.HandlesOneVsMultipleVectorGroupsAngles (1 ms)
-60: [----------] 11 tests from AngleModuleTest (43 ms total)
+60: [----------] 11 tests from AngleModuleTest (13 ms total)
 60: 
 60: [----------] 5 tests from ClustsizeTest
 60: [ RUN      ] ClustsizeTest.NoMolDefaultCutoff
@@ -144435,7 +144655,7 @@
 60: Total number of atoms in clusters =  24
 60: cmid: 2, cmax: 4, max_size: 6
 60:  16% 33% 50% 66% 83%100%cmid: 6, cmax: 18, max_size: 6
-60:  16% 33% 50% 66% 83%100%[       OK ] ClustsizeTest.NoMolDefaultCutoff (3 ms)
+60:  16% 33% 50% 66% 83%100%[       OK ] ClustsizeTest.NoMolDefaultCutoff (0 ms)
 60: [ RUN      ] ClustsizeTest.NoMolShortCutoff
 60: Reading frames from pdb file
Reading frame       0 time    0.000   Group     0 (            SOL) has    24 elements
 60: There is one group in the index
@@ -144444,7 +144664,7 @@
 60: Total number of atoms in clusters =  24
 60: cmid: 1, cmax: 6, max_size: 6
 60:  16% 33% 50% 66% 83%100%cmid: 6, cmax: 18, max_size: 6
-60:  16% 33% 50% 66% 83%100%[       OK ] ClustsizeTest.NoMolShortCutoff (1 ms)
+60:  16% 33% 50% 66% 83%100%[       OK ] ClustsizeTest.NoMolShortCutoff (0 ms)
 60: [ RUN      ] ClustsizeTest.MolDefaultCutoff
 60: Reading frames from pdb file
Reading frame       0 time    0.000   Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
@@ -144453,7 +144673,7 @@
 60: Total number of atoms in clusters =  8
 60: cmid: 2, cmax: 4, max_size: 2
 60:  50%100%cmid: 2, cmax: 6, max_size: 2
-60:  50%100%[       OK ] ClustsizeTest.MolDefaultCutoff (2 ms)
+60:  50%100%[       OK ] ClustsizeTest.MolDefaultCutoff (0 ms)
 60: [ RUN      ] ClustsizeTest.MolShortCutoff
 60: Reading frames from pdb file
Reading frame       0 time    0.000   Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
@@ -144462,7 +144682,7 @@
 60: Total number of atoms in clusters =  8
 60: cmid: 1, cmax: 6, max_size: 2
 60:  50%100%cmid: 2, cmax: 6, max_size: 2
-60:  50%100%[       OK ] ClustsizeTest.MolShortCutoff (1 ms)
+60:  50%100%[       OK ] ClustsizeTest.MolShortCutoff (0 ms)
 60: [ RUN      ] ClustsizeTest.MolCSize
 60: Reading frames from pdb file
Reading frame       0 time    0.000   Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
@@ -144471,8 +144691,8 @@
 60: Total number of atoms in clusters =  8
 60: cmid: 2, cmax: 4, max_size: 2
 60:  50%100%cmid: 2, cmax: 6, max_size: 2
-60:  50%100%[       OK ] ClustsizeTest.MolCSize (4 ms)
-60: [----------] 5 tests from ClustsizeTest (16 ms total)
+60:  50%100%[       OK ] ClustsizeTest.MolCSize (0 ms)
+60: [----------] 5 tests from ClustsizeTest (4 ms total)
 60: 
 60: [----------] 4 tests from TrajectoryAnalysisCommandLineRunnerTest
 60: [ RUN      ] TrajectoryAnalysisCommandLineRunnerTest.WritesHelp
@@ -144491,7 +144711,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.RunsWithSubsetTrajectory (1 ms)
+60: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.RunsWithSubsetTrajectory (0 ms)
 60: [ RUN      ] TrajectoryAnalysisCommandLineRunnerTest.DetectsIncorrectTrajectorySubset
 60: Reading frames from gro file 'Test system', 8 atoms.
 60: 
Reading frame       0 time    0.000   
@@ -144504,10 +144724,10 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.DetectsIncorrectTrajectorySubset (4 ms)
+60: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.DetectsIncorrectTrajectorySubset (1 ms)
 60: [ RUN      ] TrajectoryAnalysisCommandLineRunnerTest.FailsWithTrajectorySubsetWithoutTrajectory
 60: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.FailsWithTrajectorySubsetWithoutTrajectory (0 ms)
-60: [----------] 4 tests from TrajectoryAnalysisCommandLineRunnerTest (7 ms total)
+60: [----------] 4 tests from TrajectoryAnalysisCommandLineRunnerTest (2 ms total)
 60: 
 60: [----------] 4 tests from ConvertTrjModuleTest
 60: [ RUN      ] ConvertTrjModuleTest.WritesNormalOutput
@@ -144515,28 +144735,28 @@
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
 60: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 60: Analyzed 1 frames, last time 0.000
-60: [       OK ] ConvertTrjModuleTest.WritesNormalOutput (19 ms)
+60: [       OK ] ConvertTrjModuleTest.WritesNormalOutput (5 ms)
 60: [ RUN      ] ConvertTrjModuleTest.WritesAtomSubset
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
 60: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 60: Analyzed 1 frames, last time 0.000
-60: [       OK ] ConvertTrjModuleTest.WritesAtomSubset (12 ms)
+60: [       OK ] ConvertTrjModuleTest.WritesAtomSubset (4 ms)
 60: [ RUN      ] ConvertTrjModuleTest.WorksWithAtomAdding
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 24 atoms
 60: 
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
 60: Analyzed 2 frames, last time 0.000
-60: [       OK ] ConvertTrjModuleTest.WorksWithAtomAdding (7 ms)
+60: [       OK ] ConvertTrjModuleTest.WorksWithAtomAdding (0 ms)
 60: [ RUN      ] ConvertTrjModuleTest.WorksWithAtomsAndSelection
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 24 atoms
 60: 
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
 60: Analyzed 2 frames, last time 0.000
-60: [       OK ] ConvertTrjModuleTest.WorksWithAtomsAndSelection (1 ms)
-60: [----------] 4 tests from ConvertTrjModuleTest (41 ms total)
+60: [       OK ] ConvertTrjModuleTest.WorksWithAtomsAndSelection (0 ms)
+60: [----------] 4 tests from ConvertTrjModuleTest (12 ms total)
 60: 
 60: [----------] 6 tests from DistanceModuleTest
 60: [ RUN      ] DistanceModuleTest.ComputesDistances
@@ -144555,7 +144775,7 @@
 60:   Number of samples:  5
 60:   Average distance:   1.43246  nm
 60:   Standard deviation: 0.96700  nm
-60: [       OK ] DistanceModuleTest.ComputesDistances (2 ms)
+60: [       OK ] DistanceModuleTest.ComputesDistances (1 ms)
 60: [ RUN      ] DistanceModuleTest.ComputesMultipleDistances
 60: Analyzed topology coordinates
 60: 
@@ -144576,7 +144796,7 @@
 60:   Number of samples:  4
 60:   Average distance:   1.81066  nm
 60:   Standard deviation: 0.79289  nm
-60: [       OK ] DistanceModuleTest.ComputesMultipleDistances (3 ms)
+60: [       OK ] DistanceModuleTest.ComputesMultipleDistances (1 ms)
 60: [ RUN      ] DistanceModuleTest.HandlesDynamicSelections
 60: Analyzed topology coordinates
 60: 
@@ -144593,7 +144813,7 @@
 60:   Number of samples:  3
 60:   Average distance:   1.72076  nm
 60:   Standard deviation: 1.24839  nm
-60: [       OK ] DistanceModuleTest.HandlesDynamicSelections (2 ms)
+60: [       OK ] DistanceModuleTest.HandlesDynamicSelections (1 ms)
 60: [ RUN      ] DistanceModuleTest.HandlesSelectionFromGroup
 60: Analyzed topology coordinates
 60: 
@@ -144610,7 +144830,7 @@
 60:   Number of samples:  2
 60:   Average distance:   1.00000  nm
 60:   Standard deviation: 0.00000  nm
-60: [       OK ] DistanceModuleTest.HandlesSelectionFromGroup (9 ms)
+60: [       OK ] DistanceModuleTest.HandlesSelectionFromGroup (3 ms)
 60: [ RUN      ] DistanceModuleTest.HandlesSelectionFromGroupWithSuccessiveIndices
 60: Analyzed topology coordinates
 60: 
@@ -144627,7 +144847,7 @@
 60:   Number of samples:  2
 60:   Average distance:   1.00000  nm
 60:   Standard deviation: 0.00000  nm
-60: [       OK ] DistanceModuleTest.HandlesSelectionFromGroupWithSuccessiveIndices (9 ms)
+60: [       OK ] DistanceModuleTest.HandlesSelectionFromGroupWithSuccessiveIndices (3 ms)
 60: [ RUN      ] DistanceModuleTest.HandlesSelectionFromLargeGroup
 60: Analyzed topology coordinates
 60: 
@@ -144644,8 +144864,8 @@
 60:   Number of samples:  10
 60:   Average distance:   1.82913  nm
 60:   Standard deviation: 0.78478  nm
-60: [       OK ] DistanceModuleTest.HandlesSelectionFromLargeGroup (11 ms)
-60: [----------] 6 tests from DistanceModuleTest (47 ms total)
+60: [       OK ] DistanceModuleTest.HandlesSelectionFromLargeGroup (3 ms)
+60: [----------] 6 tests from DistanceModuleTest (15 ms total)
 60: 
 60: [----------] 2 tests from ExtractClusterModuleTest
 60: [ RUN      ] ExtractClusterModuleTest.WorksWithAllAtoms
@@ -144653,13 +144873,13 @@
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.002   
Reading frame       2 time    0.004   
Reading frame       3 time    0.006   
Reading frame       4 time    0.008   
Reading frame       5 time    0.010   
Reading frame       6 time    0.012   
Reading frame       7 time    0.014   
Reading frame       8 time    0.016   
Reading frame       9 time    0.018   
Reading frame      10 time    0.020   
Reading frame      11 time    0.022   
Reading frame      12 time    0.024   
Reading frame      13 time    0.026   
Reading frame      14 time    0.028   
Reading frame      15 time    0.030   
Reading frame      16 time    0.032   
Reading frame      17 time    0.034   
Reading frame      18 time    0.036   
Reading frame      19 time    0.038   
Reading frame      20 time    0.040   
 60: Analyzed 26 frames, last time 0.050
 60: There are 8 clusters containing 26 structures, highest framenr is 25
-60: [       OK ] ExtractClusterModuleTest.WorksWithAllAtoms (14 ms)
+60: [       OK ] ExtractClusterModuleTest.WorksWithAllAtoms (1 ms)
 60: [ RUN      ] ExtractClusterModuleTest.WorksWithAtomSubset
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.002   
Reading frame       2 time    0.004   
Reading frame       3 time    0.006   
Reading frame       4 time    0.008   
Reading frame       5 time    0.010   
Reading frame       6 time    0.012   
Reading frame       7 time    0.014   
Reading frame       8 time    0.016   
Reading frame       9 time    0.018   
Reading frame      10 time    0.020   
Reading frame      11 time    0.022   
Reading frame      12 time    0.024   
Reading frame      13 time    0.026   
Reading frame      14 time    0.028   
Reading frame      15 time    0.030   
Reading frame      16 time    0.032   
Reading frame      17 time    0.034   
Reading frame      18 time    0.036   
Reading frame      19 time    0.038   
Reading frame      20 time    0.040   
 60: Analyzed 26 frames, last time 0.050
 60: There are 8 clusters containing 26 structures, highest framenr is 25
 60: [       OK ] ExtractClusterModuleTest.WorksWithAtomSubset (1 ms)
-60: [----------] 2 tests from ExtractClusterModuleTest (16 ms total)
+60: [----------] 2 tests from ExtractClusterModuleTest (2 ms total)
 60: 
 60: [----------] 2 tests from FreeVolumeModuleTest
 60: [ RUN      ] FreeVolumeModuleTest.ComputesFreeVolume
@@ -144728,7 +144948,7 @@
 60: Molecular volume Vm assuming homogeneity: 0.2027 +/- 0.0000 nm^3
 60: Molecular van der Waals volume assuming homogeneity:  0.1256 +/- 0.0000 nm^3
 60: Fractional free volume 0.194 +/- 0.000
-60: [       OK ] FreeVolumeModuleTest.ComputesFreeVolume (59 ms)
+60: [       OK ] FreeVolumeModuleTest.ComputesFreeVolume (40 ms)
 60: [ RUN      ] FreeVolumeModuleTest.ComputesFreeVolumeSelection
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
@@ -144785,8 +145005,8 @@
 60: Molecular volume Vm assuming homogeneity: 0.2027 +/- 0.0000 nm^3
 60: Molecular van der Waals volume assuming homogeneity:  0.1247 +/- 0.0000 nm^3
 60: Fractional free volume 0.200 +/- 0.000
-60: [       OK ] FreeVolumeModuleTest.ComputesFreeVolumeSelection (49 ms)
-60: [----------] 2 tests from FreeVolumeModuleTest (109 ms total)
+60: [       OK ] FreeVolumeModuleTest.ComputesFreeVolumeSelection (40 ms)
+60: [----------] 2 tests from FreeVolumeModuleTest (80 ms total)
 60: 
 60: [----------] 13 tests from MsdModuleTest
 60: [ RUN      ] MsdModuleTest.threeDimensionalDiffusion
@@ -144802,7 +145022,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] MsdModuleTest.threeDimensionalDiffusion (6 ms)
+60: [       OK ] MsdModuleTest.threeDimensionalDiffusion (1 ms)
 60: [ RUN      ] MsdModuleTest.twoDimensionalDiffusion
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time    1.000   
Reading frame       2 time    2.000   
Reading frame       3 time    3.000   
Reading frame       4 time    4.000   
Reading frame       5 time    5.000   
Reading frame       6 time    6.000   
Reading frame       7 time    7.000   
Reading frame       8 time    8.000   
Reading frame       9 time    9.000   
Last frame          9 time    9.000   
 60: Analyzed 10 frames, last time 9.000
@@ -144816,7 +145036,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] MsdModuleTest.twoDimensionalDiffusion (5 ms)
+60: [       OK ] MsdModuleTest.twoDimensionalDiffusion (1 ms)
 60: [ RUN      ] MsdModuleTest.oneDimensionalDiffusion
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time    1.000   
Reading frame       2 time    2.000   
Reading frame       3 time    3.000   
Reading frame       4 time    4.000   
Reading frame       5 time    5.000   
Reading frame       6 time    6.000   
Reading frame       7 time    7.000   
Reading frame       8 time    8.000   
Reading frame       9 time    9.000   
Last frame          9 time    9.000   
 60: Analyzed 10 frames, last time 9.000
@@ -144830,7 +145050,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] MsdModuleTest.oneDimensionalDiffusion (2 ms)
+60: [       OK ] MsdModuleTest.oneDimensionalDiffusion (1 ms)
 60: [ RUN      ] MsdModuleTest.oneDimensionalDiffusionWithMaxTau
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time    1.000   
Reading frame       2 time    2.000   
Reading frame       3 time    3.000   
Reading frame       4 time    4.000   
Reading frame       5 time    5.000   
Reading frame       6 time    6.000   
Reading frame       7 time    7.000   
Reading frame       8 time    8.000   
Reading frame       9 time    9.000   
Last frame          9 time    9.000   
 60: Analyzed 10 frames, last time 9.000
@@ -144844,7 +145064,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] MsdModuleTest.oneDimensionalDiffusionWithMaxTau (8 ms)
+60: [       OK ] MsdModuleTest.oneDimensionalDiffusionWithMaxTau (1 ms)
 60: [ RUN      ] MsdModuleTest.multipleGroupsWork
 60: 
 60: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_multipleGroupsWork.mdp]:
@@ -144884,7 +145104,7 @@
 60: WARNING: -dt and -trestart are equal. Statistics for each tau data point will not be independent.
 60: 
Reading frame       2 time    4.000   
Reading frame       3 time    6.000   
Reading frame       4 time    8.000   
Reading frame       5 time   10.000   
Reading frame       6 time   12.000   
Reading frame       7 time   14.000   
Reading frame       8 time   16.000   
Reading frame       9 time   18.000   
Reading frame      10 time   20.000   
Reading frame      11 time   22.000   
Reading frame      12 time   24.000   
Reading frame      13 time   26.000   
Reading frame      14 time   28.000   
Reading frame      15 time   30.000   
Reading frame      16 time   32.000   
Reading frame      17 time   34.000   
Reading frame      18 time   36.000   
Reading frame      19 time   38.000   
Reading frame      20 time   40.000   
Last frame         20 time   40.000   
 60: Analyzed 21 frames, last time 40.000
-60: Setting the LD random seed to -539242021
+60: Setting the LD random seed to 2141241278
 60: 
 60: Generated 2145 of the 2145 non-bonded parameter combinations
 60: 
@@ -144913,7 +145133,7 @@
 60: Note that mdrun will redetermine rlist based on the actual pair-list setup
 60: 
 60: This run will generate roughly 0 Mb of data
-60: [       OK ] MsdModuleTest.multipleGroupsWork (36 ms)
+60: [       OK ] MsdModuleTest.multipleGroupsWork (14 ms)
 60: [ RUN      ] MsdModuleTest.subPicosecondTrajectoryWorks
 60: 
 60: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_subPicosecondTrajectoryWorks.mdp]:
@@ -144953,7 +145173,7 @@
 60: WARNING: -dt and -trestart are equal. Statistics for each tau data point will not be independent.
 60: 
Reading frame       2 time    0.200   
Reading frame       3 time    0.300   
Reading frame       4 time    0.400   
Reading frame       5 time    0.500   
Reading frame       6 time    0.600   
Reading frame       7 time    0.700   
Reading frame       8 time    0.800   
Reading frame       9 time    0.900   
Reading frame      10 time    1.000   
Reading frame      11 time    1.100   
Reading frame      12 time    1.200   
Reading frame      13 time    1.300   
Reading frame      14 time    1.400   
Reading frame      15 time    1.500   
Reading frame      16 time    1.600   
Reading frame      17 time    1.700   
Reading frame      18 time    1.800   
Reading frame      19 time    1.900   
Reading frame      20 time    2.000   
Last frame         20 time    2.000   
 60: Analyzed 21 frames, last time 2.000
-60: Setting the LD random seed to -943261570
+60: Setting the LD random seed to 603701243
 60: 
 60: Generated 2145 of the 2145 non-bonded parameter combinations
 60: 
@@ -144982,7 +145202,7 @@
 60: Note that mdrun will redetermine rlist based on the actual pair-list setup
 60: 
 60: This run will generate roughly 0 Mb of data
-60: [       OK ] MsdModuleTest.subPicosecondTrajectoryWorks (44 ms)
+60: [       OK ] MsdModuleTest.subPicosecondTrajectoryWorks (14 ms)
 60: [ RUN      ] MsdModuleTest.trestartLessThanDt
 60: 
 60: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_trestartLessThanDt.mdp]:
@@ -145018,7 +145238,7 @@
 60: There were 5 NOTEs
 60: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_trestartLessThanDt.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_trestartLessThanDt.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-60: 
Reading frame       0 time    0.000   
Reading frame       1 time    2.000   Setting the LD random seed to 2076015449
+60: 
Reading frame       0 time    0.000   
Reading frame       1 time    2.000   Setting the LD random seed to -38278421
 60: 
 60: Generated 2145 of the 2145 non-bonded parameter combinations
 60: 
@@ -145047,7 +145267,7 @@
 60: Note that mdrun will redetermine rlist based on the actual pair-list setup
 60: 
 60: This run will generate roughly 0 Mb of data
-60: [       OK ] MsdModuleTest.trestartLessThanDt (25 ms)
+60: [       OK ] MsdModuleTest.trestartLessThanDt (11 ms)
 60: [ RUN      ] MsdModuleTest.trestartGreaterThanDt
 60: 
 60: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_trestartGreaterThanDt.mdp]:
@@ -145085,7 +145305,7 @@
 60: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_trestartGreaterThanDt.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time    2.000   
Reading frame       2 time    4.000   
Reading frame       3 time    6.000   
Reading frame       4 time    8.000   
Reading frame       5 time   10.000   
Reading frame       6 time   12.000   
Reading frame       7 time   14.000   
Reading frame       8 time   16.000   
Reading frame       9 time   18.000   
Reading frame      10 time   20.000   
Reading frame      11 time   22.000   
Reading frame      12 time   24.000   
Reading frame      13 time   26.000   
Reading frame      14 time   28.000   
Reading frame      15 time   30.000   
Reading frame      16 time   32.000   
Reading frame      17 time   34.000   
Reading frame      18 time   36.000   
Reading frame      19 time   38.000   
Reading frame      20 time   40.000   
Last frame         20 time   40.000   
 60: Analyzed 21 frames, last time 40.000
-60: Setting the LD random seed to 1976562445
+60: Setting the LD random seed to -840172867
 60: 
 60: Generated 2145 of the 2145 non-bonded parameter combinations
 60: 
@@ -145114,7 +145334,7 @@
 60: Note that mdrun will redetermine rlist based on the actual pair-list setup
 60: 
 60: This run will generate roughly 0 Mb of data
-60: [       OK ] MsdModuleTest.trestartGreaterThanDt (46 ms)
+60: [       OK ] MsdModuleTest.trestartGreaterThanDt (13 ms)
 60: [ RUN      ] MsdModuleTest.trestartGreaterThanDtAndNotAMultipleOfDt
 60: 
 60: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_trestartGreaterThanDtAndNotAMultipleOfDt.mdp]:
@@ -145150,7 +145370,7 @@
 60: There were 5 NOTEs
 60: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_trestartGreaterThanDtAndNotAMultipleOfDt.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_trestartGreaterThanDtAndNotAMultipleOfDt.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-60: 
Reading frame       0 time    0.000   
Reading frame       1 time    2.000   Setting the LD random seed to -71408258
+60: 
Reading frame       0 time    0.000   
Reading frame       1 time    2.000   Setting the LD random seed to -1080303679
 60: 
 60: Generated 2145 of the 2145 non-bonded parameter combinations
 60: 
@@ -145179,7 +145399,7 @@
 60: Note that mdrun will redetermine rlist based on the actual pair-list setup
 60: 
 60: This run will generate roughly 0 Mb of data
-60: [       OK ] MsdModuleTest.trestartGreaterThanDtAndNotAMultipleOfDt (46 ms)
+60: [       OK ] MsdModuleTest.trestartGreaterThanDtAndNotAMultipleOfDt (11 ms)
 60: [ RUN      ] MsdModuleTest.molTest
 60: 
 60: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_molTest.mdp]:
@@ -145217,7 +145437,7 @@
 60: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_molTest.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time    2.000   
Reading frame       2 time    4.000   
Reading frame       3 time    6.000   
Reading frame       4 time    8.000   
Reading frame       5 time   10.000   
Reading frame       6 time   12.000   
Reading frame       7 time   14.000   
Reading frame       8 time   16.000   
Reading frame       9 time   18.000   
Reading frame      10 time   20.000   
Reading frame      11 time   22.000   
Reading frame      12 time   24.000   
Reading frame      13 time   26.000   
Reading frame      14 time   28.000   
Reading frame      15 time   30.000   
Reading frame      16 time   32.000   
Reading frame      17 time   34.000   
Reading frame      18 time   36.000   
Reading frame      19 time   38.000   
Reading frame      20 time   40.000   
Last frame         20 time   40.000   
 60: Analyzed 21 frames, last time 40.000
-60: Setting the LD random seed to -3146883
+60: Setting the LD random seed to -25432067
 60: 
 60: Generated 2145 of the 2145 non-bonded parameter combinations
 60: 
@@ -145246,7 +145466,7 @@
 60: Note that mdrun will redetermine rlist based on the actual pair-list setup
 60: 
 60: This run will generate roughly 0 Mb of data
-60: [       OK ] MsdModuleTest.molTest (41 ms)
+60: [       OK ] MsdModuleTest.molTest (13 ms)
 60: [ RUN      ] MsdModuleTest.beginFit
 60: 
 60: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_beginFit.mdp]:
@@ -145286,7 +145506,7 @@
 60: WARNING: -dt and -trestart are equal. Statistics for each tau data point will not be independent.
 60: 
Reading frame       2 time    4.000   
Reading frame       3 time    6.000   
Reading frame       4 time    8.000   
Reading frame       5 time   10.000   
Reading frame       6 time   12.000   
Reading frame       7 time   14.000   
Reading frame       8 time   16.000   
Reading frame       9 time   18.000   
Reading frame      10 time   20.000   
Reading frame      11 time   22.000   
Reading frame      12 time   24.000   
Reading frame      13 time   26.000   
Reading frame      14 time   28.000   
Reading frame      15 time   30.000   
Reading frame      16 time   32.000   
Reading frame      17 time   34.000   
Reading frame      18 time   36.000   
Reading frame      19 time   38.000   
Reading frame      20 time   40.000   
Last frame         20 time   40.000   
 60: Analyzed 21 frames, last time 40.000
-60: Setting the LD random seed to -1218453569
+60: Setting the LD random seed to -1488783884
 60: 
 60: Generated 2145 of the 2145 non-bonded parameter combinations
 60: 
@@ -145315,7 +145535,7 @@
 60: Note that mdrun will redetermine rlist based on the actual pair-list setup
 60: 
 60: This run will generate roughly 0 Mb of data
-60: [       OK ] MsdModuleTest.beginFit (31 ms)
+60: [       OK ] MsdModuleTest.beginFit (13 ms)
 60: [ RUN      ] MsdModuleTest.endFit
 60: 
 60: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_endFit.mdp]:
@@ -145355,7 +145575,7 @@
 60: WARNING: -dt and -trestart are equal. Statistics for each tau data point will not be independent.
 60: 
Reading frame       2 time    4.000   
Reading frame       3 time    6.000   
Reading frame       4 time    8.000   
Reading frame       5 time   10.000   
Reading frame       6 time   12.000   
Reading frame       7 time   14.000   
Reading frame       8 time   16.000   
Reading frame       9 time   18.000   
Reading frame      10 time   20.000   
Reading frame      11 time   22.000   
Reading frame      12 time   24.000   
Reading frame      13 time   26.000   
Reading frame      14 time   28.000   
Reading frame      15 time   30.000   
Reading frame      16 time   32.000   
Reading frame      17 time   34.000   
Reading frame      18 time   36.000   
Reading frame      19 time   38.000   
Reading frame      20 time   40.000   
Last frame         20 time   40.000   
 60: Analyzed 21 frames, last time 40.000
-60: Setting the LD random seed to -16777737
+60: Setting the LD random seed to -144248833
 60: 
 60: Generated 2145 of the 2145 non-bonded parameter combinations
 60: 
@@ -145384,7 +145604,7 @@
 60: Note that mdrun will redetermine rlist based on the actual pair-list setup
 60: 
 60: This run will generate roughly 0 Mb of data
-60: [       OK ] MsdModuleTest.endFit (40 ms)
+60: [       OK ] MsdModuleTest.endFit (13 ms)
 60: [ RUN      ] MsdModuleTest.notEnoughPointsForFitErrorEstimate
 60: 
 60: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_notEnoughPointsForFitErrorEstimate.mdp]:
@@ -145427,7 +145647,7 @@
 60: WARNING: -dt and -trestart are equal. Statistics for each tau data point will not be independent.
 60: 
Reading frame       2 time    4.000   
Reading frame       3 time    6.000   
Reading frame       4 time    8.000   
Reading frame       5 time   10.000   
Reading frame       6 time   12.000   
Reading frame       7 time   14.000   
Reading frame       8 time   16.000   
Reading frame       9 time   18.000   
Reading frame      10 time   20.000   
Reading frame      11 time   22.000   
Reading frame      12 time   24.000   
Reading frame      13 time   26.000   
Reading frame      14 time   28.000   
Reading frame      15 time   30.000   
Reading frame      16 time   32.000   
Reading frame      17 time   34.000   
Reading frame      18 time   36.000   
Reading frame      19 time   38.000   
Reading frame      20 time   40.000   
Last frame         20 time   40.000   
 60: Analyzed 21 frames, last time 40.000
-60: Setting the LD random seed to -1358962689
+60: Setting the LD random seed to 2109652445
 60: 
 60: Generated 2145 of the 2145 non-bonded parameter combinations
 60: 
@@ -145456,8 +145676,8 @@
 60: Note that mdrun will redetermine rlist based on the actual pair-list setup
 60: 
 60: This run will generate roughly 0 Mb of data
-60: [       OK ] MsdModuleTest.notEnoughPointsForFitErrorEstimate (42 ms)
-60: [----------] 13 tests from MsdModuleTest (401 ms total)
+60: [       OK ] MsdModuleTest.notEnoughPointsForFitErrorEstimate (14 ms)
+60: [----------] 13 tests from MsdModuleTest (126 ms total)
 60: 
 60: [----------] 9 tests from PairDistanceModuleTest
 60: [ RUN      ] PairDistanceModuleTest.ComputesAllDistances
@@ -145472,7 +145692,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] PairDistanceModuleTest.ComputesAllDistances (8 ms)
+60: [       OK ] PairDistanceModuleTest.ComputesAllDistances (1 ms)
 60: [ RUN      ] PairDistanceModuleTest.ComputesAllDistancesWithCutoff
 60: Analyzed topology coordinates
 60: 
@@ -145498,7 +145718,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] PairDistanceModuleTest.ComputesMinDistanceWithCutoff (5 ms)
+60: [       OK ] PairDistanceModuleTest.ComputesMinDistanceWithCutoff (1 ms)
 60: [ RUN      ] PairDistanceModuleTest.ComputesMaxDistance
 60: Analyzed topology coordinates
 60: 
@@ -145511,7 +145731,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] PairDistanceModuleTest.ComputesMaxDistance (7 ms)
+60: [       OK ] PairDistanceModuleTest.ComputesMaxDistance (1 ms)
 60: [ RUN      ] PairDistanceModuleTest.ComputesMaxDistanceWithCutoff
 60: Analyzed topology coordinates
 60: 
@@ -145537,7 +145757,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] PairDistanceModuleTest.ComputesGroupedMinDistanceWithCutoff (7 ms)
+60: [       OK ] PairDistanceModuleTest.ComputesGroupedMinDistanceWithCutoff (1 ms)
 60: [ RUN      ] PairDistanceModuleTest.ComputesGroupedMaxDistanceWithCutoff
 60: Analyzed topology coordinates
 60: 
@@ -145563,7 +145783,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwritten (6 ms)
+60: [       OK ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwritten (1 ms)
 60: [ RUN      ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwrittenWithExplicitGroup
 60: Analyzed topology coordinates
 60: 
@@ -145576,8 +145796,8 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwrittenWithExplicitGroup (7 ms)
-60: [----------] 9 tests from PairDistanceModuleTest (47 ms total)
+60: [       OK ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwrittenWithExplicitGroup (1 ms)
+60: [----------] 9 tests from PairDistanceModuleTest (9 ms total)
 60: 
 60: [----------] 5 tests from RdfModuleTest
 60: [ RUN      ] RdfModuleTest.BasicTest
@@ -145592,12 +145812,12 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] RdfModuleTest.BasicTest (27 ms)
+60: [       OK ] RdfModuleTest.BasicTest (9 ms)
 60: [ RUN      ] RdfModuleTest.SelectionsSolelyFromIndexFileWork
 60: Reading frames from gro file '216H2O,WATJP01,SPC216,SPC-MODEL,300K,BOX(M)=1.86206NM,WFVG,MAR. 1984', 648 atoms.
 60: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 60: Analyzed 1 frames, last time 0.000
-60: [       OK ] RdfModuleTest.SelectionsSolelyFromIndexFileWork (27 ms)
+60: [       OK ] RdfModuleTest.SelectionsSolelyFromIndexFileWork (8 ms)
 60: [ RUN      ] RdfModuleTest.SelectionsFromBothTopologyFileAndIndexFileWork
 60: Analyzed topology coordinates
 60: 
@@ -145610,7 +145830,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] RdfModuleTest.SelectionsFromBothTopologyFileAndIndexFileWork (31 ms)
+60: [       OK ] RdfModuleTest.SelectionsFromBothTopologyFileAndIndexFileWork (10 ms)
 60: [ RUN      ] RdfModuleTest.CalculatesSurf
 60: Analyzed topology coordinates
 60: 
@@ -145623,7 +145843,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] RdfModuleTest.CalculatesSurf (8 ms)
+60: [       OK ] RdfModuleTest.CalculatesSurf (4 ms)
 60: [ RUN      ] RdfModuleTest.CalculatesXY
 60: Analyzed topology coordinates
 60: 
@@ -145636,8 +145856,8 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] RdfModuleTest.CalculatesXY (32 ms)
-60: [----------] 5 tests from RdfModuleTest (131 ms total)
+60: [       OK ] RdfModuleTest.CalculatesXY (11 ms)
+60: [----------] 5 tests from RdfModuleTest (45 ms total)
 60: 
 60: [----------] 5 tests from SasaModuleTest
 60: [ RUN      ] SasaModuleTest.BasicTest
@@ -145683,7 +145903,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Analyzed topology coordinates
-60: [       OK ] SasaModuleTest.BasicTest (18 ms)
+60: [       OK ] SasaModuleTest.BasicTest (5 ms)
 60: [ RUN      ] SasaModuleTest.HandlesSelectedResidues
 60: 
 60: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
@@ -145727,7 +145947,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Analyzed topology coordinates
-60: [       OK ] SasaModuleTest.HandlesSelectedResidues (8 ms)
+60: [       OK ] SasaModuleTest.HandlesSelectedResidues (2 ms)
 60: [ RUN      ] SasaModuleTest.WritesConnollySurfaceWithSolute
 60: 
 60: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
@@ -145771,7 +145991,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Analyzed topology coordinates
-60: [       OK ] SasaModuleTest.WritesConnollySurfaceWithSolute (8 ms)
+60: [       OK ] SasaModuleTest.WritesConnollySurfaceWithSolute (2 ms)
 60: [ RUN      ] SasaModuleTest.HandlesDynamicOutputGroup
 60: 
 60: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
@@ -145815,7 +146035,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Analyzed topology coordinates
-60: [       OK ] SasaModuleTest.HandlesDynamicOutputGroup (12 ms)
+60: [       OK ] SasaModuleTest.HandlesDynamicOutputGroup (3 ms)
 60: [ RUN      ] SasaModuleTest.HandlesDynamicCalculationGroup
 60: 
 60: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
@@ -145859,8 +146079,8 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Analyzed topology coordinates
-60: [       OK ] SasaModuleTest.HandlesDynamicCalculationGroup (18 ms)
-60: [----------] 5 tests from SasaModuleTest (71 ms total)
+60: [       OK ] SasaModuleTest.HandlesDynamicCalculationGroup (3 ms)
+60: [----------] 5 tests from SasaModuleTest (18 ms total)
 60: 
 60: [----------] 8 tests from SelectModuleTest
 60: [ RUN      ] SelectModuleTest.BasicTest
@@ -145877,7 +146097,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] SelectModuleTest.BasicTest (6 ms)
+60: [       OK ] SelectModuleTest.BasicTest (2 ms)
 60: [ RUN      ] SelectModuleTest.HandlesPDBOutputWithNonPDBInput
 60: Reading frames from gro file 'Test system', 15 atoms.
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
@@ -145892,7 +146112,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] SelectModuleTest.HandlesPDBOutputWithNonPDBInput (5 ms)
+60: [       OK ] SelectModuleTest.HandlesPDBOutputWithNonPDBInput (1 ms)
 60: [ RUN      ] SelectModuleTest.HandlesPDBOutputWithPDBInput
 60: Reading frames from gro file 'Test system', 15 atoms.
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
@@ -145907,7 +146127,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] SelectModuleTest.HandlesPDBOutputWithPDBInput (5 ms)
+60: [       OK ] SelectModuleTest.HandlesPDBOutputWithPDBInput (1 ms)
 60: [ RUN      ] SelectModuleTest.HandlesMaxPDBOutput
 60: Reading frames from gro file 'Test system', 15 atoms.
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
@@ -145922,7 +146142,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] SelectModuleTest.HandlesMaxPDBOutput (7 ms)
+60: [       OK ] SelectModuleTest.HandlesMaxPDBOutput (1 ms)
 60: [ RUN      ] SelectModuleTest.HandlesSelectedPDBOutput
 60: Reading frames from gro file 'Test system', 15 atoms.
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
@@ -145937,7 +146157,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] SelectModuleTest.HandlesSelectedPDBOutput (7 ms)
+60: [       OK ] SelectModuleTest.HandlesSelectedPDBOutput (1 ms)
 60: [ RUN      ] SelectModuleTest.NormalizesSizes
 60: Analyzed topology coordinates
 60: 
@@ -145950,7 +146170,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] SelectModuleTest.NormalizesSizes (1 ms)
+60: [       OK ] SelectModuleTest.NormalizesSizes (0 ms)
 60: [ RUN      ] SelectModuleTest.WritesResidueNumbers
 60: Analyzed topology coordinates
 60: 
@@ -145963,7 +146183,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] SelectModuleTest.WritesResidueNumbers (1 ms)
+60: [       OK ] SelectModuleTest.WritesResidueNumbers (0 ms)
 60: [ RUN      ] SelectModuleTest.WritesResidueIndices
 60: Analyzed topology coordinates
 60: 
@@ -145976,8 +146196,8 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] SelectModuleTest.WritesResidueIndices (7 ms)
-60: [----------] 8 tests from SelectModuleTest (43 ms total)
+60: [       OK ] SelectModuleTest.WritesResidueIndices (0 ms)
+60: [----------] 8 tests from SelectModuleTest (10 ms total)
 60: 
 60: [----------] 10 tests from SurfaceAreaTest
 60: [ RUN      ] SurfaceAreaTest.ComputesSinglePoint
@@ -145987,20 +146207,20 @@
 60: [ RUN      ] SurfaceAreaTest.ComputesTwoPointsOfUnequalRadius
 60: [       OK ] SurfaceAreaTest.ComputesTwoPointsOfUnequalRadius (0 ms)
 60: [ RUN      ] SurfaceAreaTest.SurfacePoints12
-60: [       OK ] SurfaceAreaTest.SurfacePoints12 (7 ms)
+60: [       OK ] SurfaceAreaTest.SurfacePoints12 (0 ms)
 60: [ RUN      ] SurfaceAreaTest.SurfacePoints32
 60: [       OK ] SurfaceAreaTest.SurfacePoints32 (0 ms)
 60: [ RUN      ] SurfaceAreaTest.SurfacePoints42
-60: [       OK ] SurfaceAreaTest.SurfacePoints42 (7 ms)
+60: [       OK ] SurfaceAreaTest.SurfacePoints42 (0 ms)
 60: [ RUN      ] SurfaceAreaTest.SurfacePoints122
 60: [       OK ] SurfaceAreaTest.SurfacePoints122 (0 ms)
 60: [ RUN      ] SurfaceAreaTest.Computes100Points
-60: [       OK ] SurfaceAreaTest.Computes100Points (3 ms)
+60: [       OK ] SurfaceAreaTest.Computes100Points (0 ms)
 60: [ RUN      ] SurfaceAreaTest.Computes100PointsWithRectangularPBC
 60: [       OK ] SurfaceAreaTest.Computes100PointsWithRectangularPBC (1 ms)
 60: [ RUN      ] SurfaceAreaTest.Computes100PointsWithTriclinicPBC
-60: [       OK ] SurfaceAreaTest.Computes100PointsWithTriclinicPBC (7 ms)
-60: [----------] 10 tests from SurfaceAreaTest (29 ms total)
+60: [       OK ] SurfaceAreaTest.Computes100PointsWithTriclinicPBC (1 ms)
+60: [----------] 10 tests from SurfaceAreaTest (4 ms total)
 60: 
 60: [----------] 4 tests from TopologyInformation
 60: [ RUN      ] TopologyInformation.CantWorkWithoutReadingAFile
@@ -146062,7 +146282,7 @@
 60: There were 4 NOTEs
 60: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/TopologyInformation_WorksWithTprFromPdbFile_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/TopologyInformation_WorksWithTprFromPdbFile_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-60: Setting the LD random seed to 1618762429
+60: Setting the LD random seed to -1080082949
 60: 
 60: Generated 330891 of the 330891 non-bonded parameter combinations
 60: 
@@ -146076,8 +146296,8 @@
 60: Analysing Protein...
 60: 
 60: This run will generate roughly 0 Mb of data
-60: [       OK ] TopologyInformation.WorksWithTprFromPdbFile (653 ms)
-60: [----------] 4 tests from TopologyInformation (655 ms total)
+60: [       OK ] TopologyInformation.WorksWithTprFromPdbFile (219 ms)
+60: [----------] 4 tests from TopologyInformation (221 ms total)
 60: 
 60: [----------] 4 tests from TrajectoryModuleTest
 60: [ RUN      ] TrajectoryModuleTest.BasicTest
@@ -146094,7 +146314,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] TrajectoryModuleTest.BasicTest (7 ms)
+60: [       OK ] TrajectoryModuleTest.BasicTest (1 ms)
 60: [ RUN      ] TrajectoryModuleTest.PlotsXOnly
 60: Reading frames from gro file 'Test system', 15 atoms.
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
@@ -146109,7 +146329,7 @@
 60:          be removed in a future GROMACS version. Please, consider
 60:          using another file format for your input.
 60: 
-60: [       OK ] TrajectoryModuleTest.PlotsXOnly (2 ms)
+60: [       OK ] TrajectoryModuleTest.PlotsXOnly (1 ms)
 60: [ RUN      ] TrajectoryModuleTest.HandlesNoVelocities
 60: Reading frames from gro file 'Test system', 15 atoms.
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
@@ -146140,7 +146360,7 @@
 60:          using another file format for your input.
 60: 
 60: [       OK ] TrajectoryModuleTest.HandlesNoForces (1 ms)
-60: [----------] 4 tests from TrajectoryModuleTest (13 ms total)
+60: [----------] 4 tests from TrajectoryModuleTest (5 ms total)
 60: 
 60: [----------] 5 tests from UnionFinderTest
 60: [ RUN      ] UnionFinderTest.WorksEmpty
@@ -146193,7 +146413,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/0 (31 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/0 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/1
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146226,7 +146446,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/1 (20 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/1 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/2
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146259,7 +146479,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/2 (29 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/2 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/3
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146292,7 +146512,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/3 (32 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/3 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/4
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146325,7 +146545,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/4 (31 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/4 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/5
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146358,7 +146578,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/5 (32 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/5 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/6
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146391,7 +146611,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/6 (25 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/6 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/7
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146424,7 +146644,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/7 (34 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/7 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/8
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146457,7 +146677,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/8 (32 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/8 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/9
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146490,7 +146710,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/9 (33 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/9 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/10
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146523,7 +146743,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/10 (38 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/10 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/11
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146556,7 +146776,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/11 (25 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/11 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/12
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146589,7 +146809,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/12 (34 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/12 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/13
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146622,7 +146842,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/13 (31 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/13 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/14
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146655,7 +146875,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/14 (33 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/14 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/15
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146688,7 +146908,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/15 (37 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/15 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/16
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146721,7 +146941,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/16 (25 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/16 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/17
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146754,7 +146974,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/17 (37 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/17 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/18
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146787,7 +147007,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/18 (32 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/18 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/19
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146820,7 +147040,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/19 (25 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/19 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/20
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146853,7 +147073,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/20 (29 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/20 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/21
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146886,7 +147106,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/21 (31 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/21 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/22
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146919,7 +147139,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/22 (31 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/22 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/23
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146952,7 +147172,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/23 (34 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/23 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/24
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -146985,7 +147205,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/24 (29 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/24 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/25
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147018,7 +147238,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/25 (33 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/25 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/26
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147051,7 +147271,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/26 (41 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/26 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/27
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147084,7 +147304,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/27 (31 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/27 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/28
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147117,7 +147337,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/28 (31 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/28 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/29
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147150,7 +147370,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/29 (28 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/29 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/30
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147183,7 +147403,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/30 (30 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/30 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/31
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147216,7 +147436,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/31 (40 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/31 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/32
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147249,7 +147469,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/32 (27 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/32 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/33
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147282,7 +147502,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/33 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/33 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/34
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147315,7 +147535,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/34 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/34 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/35
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147348,7 +147568,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/35 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/35 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/36
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147381,7 +147601,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/36 (24 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/36 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/37
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147414,7 +147634,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/37 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/37 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/38
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147447,7 +147667,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/38 (22 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/38 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/39
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147480,7 +147700,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/39 (24 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/39 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/40
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147513,7 +147733,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/40 (28 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/40 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/41
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147546,7 +147766,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/41 (27 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/41 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/42
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147579,7 +147799,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/42 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/42 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/43
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147612,7 +147832,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/43 (25 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/43 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/44
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147645,7 +147865,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/44 (22 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/44 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/45
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147678,7 +147898,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/45 (23 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/45 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/46
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147711,7 +147931,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/46 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/46 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/47
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147744,7 +147964,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/47 (26 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/47 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/48
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147777,7 +147997,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/48 (20 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/48 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/49
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147810,7 +148030,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/49 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/49 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/50
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147843,7 +148063,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/50 (26 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/50 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/51
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147876,7 +148096,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/51 (23 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/51 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/52
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147909,7 +148129,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/52 (20 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/52 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/53
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147942,7 +148162,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/53 (22 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/53 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/54
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -147975,7 +148195,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/54 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/54 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/55
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -148008,7 +148228,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/55 (25 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/55 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/56
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -148041,7 +148261,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/56 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/56 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/57
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -148074,7 +148294,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/57 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/57 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/58
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -148107,7 +148327,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/58 (25 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/58 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/59
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -148140,7 +148360,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/59 (22 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/59 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/60
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -148173,7 +148393,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/60 (25 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/60 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/61
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -148206,7 +148426,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/61 (24 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/61 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/62
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -148239,7 +148459,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/62 (22 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/62 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/63
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 60: 
Last frame          0 time    0.000   
@@ -148272,7 +148492,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/63 (24 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/63 (13 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/64
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148305,7 +148525,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/64 (27 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/64 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/65
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148338,7 +148558,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/65 (20 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/65 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/66
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148371,7 +148591,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/66 (24 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/66 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/67
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148404,7 +148624,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/67 (20 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/67 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/68
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148437,7 +148657,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/68 (15 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/68 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/69
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148470,7 +148690,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/69 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/69 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/70
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148503,7 +148723,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/70 (16 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/70 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/71
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148536,7 +148756,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/71 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/71 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/72
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148569,7 +148789,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/72 (16 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/72 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/73
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148602,7 +148822,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/73 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/73 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/74
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148635,7 +148855,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/74 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/74 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/75
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148668,7 +148888,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/75 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/75 (12 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/76
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148701,7 +148921,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/76 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/76 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/77
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148734,7 +148954,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/77 (20 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/77 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/78
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148767,7 +148987,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/78 (20 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/78 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/79
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148800,7 +149020,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/79 (20 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/79 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/80
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148833,7 +149053,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/80 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/80 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/81
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148866,7 +149086,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/81 (24 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/81 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/82
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148899,7 +149119,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/82 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/82 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/83
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148932,7 +149152,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/83 (13 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/83 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/84
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148965,7 +149185,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/84 (22 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/84 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/85
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -148998,7 +149218,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/85 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/85 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/86
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149031,7 +149251,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/86 (20 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/86 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/87
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149064,7 +149284,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/87 (22 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/87 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/88
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149097,7 +149317,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/88 (12 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/88 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/89
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149130,7 +149350,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/89 (22 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/89 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/90
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149163,7 +149383,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/90 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/90 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/91
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149196,7 +149416,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/91 (22 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/91 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/92
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149229,7 +149449,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/92 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/92 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/93
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149262,7 +149482,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/93 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/93 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/94
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149295,7 +149515,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/94 (20 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/94 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/95
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149328,7 +149548,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/95 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/95 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/96
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149361,7 +149581,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/96 (25 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/96 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/97
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149394,7 +149614,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/97 (15 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/97 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/98
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149427,7 +149647,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/98 (25 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/98 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/99
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149460,7 +149680,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/99 (16 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/99 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/100
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149493,7 +149713,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/100 (23 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/100 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/101
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149526,7 +149746,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/101 (16 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/101 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/102
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149559,7 +149779,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/102 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/102 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/103
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149592,7 +149812,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/103 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/103 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/104
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149625,7 +149845,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/104 (20 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/104 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/105
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149658,7 +149878,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/105 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/105 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/106
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149691,7 +149911,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/106 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/106 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/107
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149724,7 +149944,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/107 (20 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/107 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/108
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149757,7 +149977,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/108 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/108 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/109
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149790,7 +150010,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/109 (25 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/109 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/110
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149823,7 +150043,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/110 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/110 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/111
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149856,7 +150076,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/111 (23 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/111 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/112
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149889,7 +150109,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/112 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/112 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/113
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149922,7 +150142,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/113 (23 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/113 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/114
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149955,7 +150175,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/114 (17 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/114 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/115
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -149988,7 +150208,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/115 (23 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/115 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/116
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -150021,7 +150241,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/116 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/116 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/117
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -150054,7 +150274,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/117 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/117 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/118
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -150087,7 +150307,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/118 (20 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/118 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/119
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -150120,7 +150340,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/119 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/119 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/120
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -150153,7 +150373,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/120 (20 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/120 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/121
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -150186,7 +150406,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/121 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/121 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/122
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -150219,7 +150439,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/122 (25 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/122 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/123
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -150252,7 +150472,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/123 (15 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/123 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/124
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -150285,7 +150505,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/124 (20 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/124 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/125
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -150318,7 +150538,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/125 (24 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/125 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/126
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -150351,7 +150571,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/126 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/126 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/127
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 60: 
Last frame          0 time    0.000   
@@ -150384,7 +150604,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/127 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/127 (11 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/128
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -150417,7 +150637,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/128 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/128 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/129
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -150450,7 +150670,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/129 (17 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/129 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/130
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -150483,7 +150703,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/130 (14 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/130 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/131
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -150516,7 +150736,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/131 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/131 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/132
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -150549,7 +150769,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/132 (17 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/132 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/133
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -150582,7 +150802,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/133 (14 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/133 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/134
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -150615,7 +150835,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/134 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/134 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/135
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -150648,7 +150868,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/135 (13 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/135 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/136
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -150681,7 +150901,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/136 (17 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/136 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/137
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -150714,7 +150934,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/137 (18 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/137 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/138
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -150747,7 +150967,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/138 (14 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/138 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/139
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -150780,7 +151000,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/139 (18 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/139 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/140
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -150813,7 +151033,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/140 (18 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/140 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/141
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -150846,7 +151066,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/141 (14 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/141 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/142
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -150879,7 +151099,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/142 (18 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/142 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/143
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -150912,7 +151132,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/143 (18 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/143 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/144
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -150945,7 +151165,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/144 (13 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/144 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/145
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -150978,7 +151198,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/145 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/145 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/146
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151011,7 +151231,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/146 (14 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/146 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/147
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151044,7 +151264,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/147 (18 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/147 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/148
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151077,7 +151297,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/148 (17 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/148 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/149
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151110,7 +151330,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/149 (14 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/149 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/150
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151143,7 +151363,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/150 (18 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/150 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/151
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151176,7 +151396,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/151 (13 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/151 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/152
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151209,7 +151429,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/152 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/152 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/153
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151242,7 +151462,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/153 (14 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/153 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/154
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151275,7 +151495,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/154 (17 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/154 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/155
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151308,7 +151528,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/155 (18 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/155 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/156
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151341,7 +151561,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/156 (18 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/156 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/157
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151374,7 +151594,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/157 (17 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/157 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/158
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151407,7 +151627,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/158 (21 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/158 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/159
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151440,7 +151660,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/159 (18 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/159 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/160
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151473,7 +151693,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/160 (15 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/160 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/161
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151506,7 +151726,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/161 (17 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/161 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/162
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151539,7 +151759,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/162 (18 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/162 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/163
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151572,7 +151792,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/163 (14 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/163 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/164
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151605,7 +151825,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/164 (17 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/164 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/165
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151638,7 +151858,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/165 (14 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/165 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/166
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151671,7 +151891,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/166 (17 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/166 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/167
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151704,7 +151924,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/167 (14 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/167 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/168
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151737,7 +151957,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/168 (18 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/168 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/169
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151770,7 +151990,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/169 (18 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/169 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/170
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151803,7 +152023,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/170 (17 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/170 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/171
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151836,7 +152056,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/171 (17 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/171 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/172
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151869,7 +152089,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/172 (18 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/172 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/173
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151902,7 +152122,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/173 (14 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/173 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/174
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151935,7 +152155,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/174 (15 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/174 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/175
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -151968,7 +152188,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/175 (18 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/175 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/176
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -152001,7 +152221,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/176 (13 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/176 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/177
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -152034,7 +152254,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/177 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/177 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/178
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -152067,7 +152287,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/178 (17 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/178 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/179
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -152100,7 +152320,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/179 (13 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/179 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/180
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -152133,7 +152353,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/180 (12 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/180 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/181
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -152166,7 +152386,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/181 (18 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/181 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/182
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -152199,7 +152419,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/182 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/182 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/183
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -152232,7 +152452,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/183 (10 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/183 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/184
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -152265,7 +152485,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/184 (20 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/184 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/185
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -152298,7 +152518,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/185 (14 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/185 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/186
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -152331,7 +152551,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/186 (14 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/186 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/187
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -152364,7 +152584,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/187 (19 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/187 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/188
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -152397,7 +152617,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/188 (14 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/188 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/189
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -152430,7 +152650,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/189 (20 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/189 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/190
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -152463,7 +152683,7 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/190 (14 ms)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/190 (9 ms)
 60: [ RUN      ] MoleculeTests/DsspModuleTest.Works/191
 60: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 60: 
Last frame          0 time  500.000   
@@ -152496,8 +152716,8 @@
 60: DOI: 10.1021/acs.jcim.3c01344
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/DsspModuleTest.Works/191 (14 ms)
-60: [----------] 192 tests from MoleculeTests/DsspModuleTest (4243 ms total)
+60: [       OK ] MoleculeTests/DsspModuleTest.Works/191 (9 ms)
+60: [----------] 192 tests from MoleculeTests/DsspModuleTest (2187 ms total)
 60: 
 60: [----------] 3 tests from GyrateTests/GyrateModuleTest
 60: [ RUN      ] GyrateTests/GyrateModuleTest.Works/0
@@ -152505,20 +152725,20 @@
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time   10.000   
Last frame          1 time   10.000   
 60: Analyzed 2 frames, last time 10.000
-60: [       OK ] GyrateTests/GyrateModuleTest.Works/0 (20 ms)
+60: [       OK ] GyrateTests/GyrateModuleTest.Works/0 (4 ms)
 60: [ RUN      ] GyrateTests/GyrateModuleTest.Works/1
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time   10.000   
Last frame          1 time   10.000   
 60: Analyzed 2 frames, last time 10.000
-60: [       OK ] GyrateTests/GyrateModuleTest.Works/1 (10 ms)
+60: [       OK ] GyrateTests/GyrateModuleTest.Works/1 (4 ms)
 60: [ RUN      ] GyrateTests/GyrateModuleTest.Works/2
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: 
Reading frame       0 time    0.000   
Reading frame       1 time   10.000   
Last frame          1 time   10.000   
 60: Analyzed 2 frames, last time 10.000
 60: [       OK ] GyrateTests/GyrateModuleTest.Works/2 (4 ms)
-60: [----------] 3 tests from GyrateTests/GyrateModuleTest (36 ms total)
+60: [----------] 3 tests from GyrateTests/GyrateModuleTest (13 ms total)
 60: 
 60: [----------] 96 tests from HBondTests/HbondModuleTest
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/0
@@ -152538,7 +152758,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/0 (18 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/0 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/1
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152556,7 +152776,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/1 (17 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/1 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/2
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152574,7 +152794,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/2 (20 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/2 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/3
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152592,7 +152812,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/3 (17 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/3 (6 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/4
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152610,7 +152830,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/4 (21 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/4 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/5
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152628,7 +152848,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/5 (18 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/5 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/6
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152646,7 +152866,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/6 (14 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/6 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/7
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152664,7 +152884,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/7 (16 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/7 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/8
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152682,7 +152902,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/8 (18 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/8 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/9
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152700,7 +152920,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/9 (17 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/9 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/10
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152718,7 +152938,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/10 (23 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/10 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/11
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152736,7 +152956,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/11 (19 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/11 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/12
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152754,7 +152974,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/12 (21 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/12 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/13
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152772,7 +152992,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/13 (30 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/13 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/14
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152790,7 +153010,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/14 (13 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/14 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/15
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152808,7 +153028,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/15 (14 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/15 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/16
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152826,7 +153046,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/16 (15 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/16 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/17
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152844,7 +153064,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/17 (18 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/17 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/18
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152862,7 +153082,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/18 (16 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/18 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/19
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152880,7 +153100,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/19 (21 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/19 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/20
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152898,7 +153118,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/20 (24 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/20 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/21
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152916,7 +153136,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/21 (25 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/21 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/22
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152934,7 +153154,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/22 (19 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/22 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/23
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152952,7 +153172,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/23 (13 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/23 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/24
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152970,7 +153190,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/24 (16 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/24 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/25
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -152988,7 +153208,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/25 (15 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/25 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/26
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153006,7 +153226,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/26 (20 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/26 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/27
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153024,7 +153244,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/27 (18 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/27 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/28
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153042,7 +153262,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/28 (18 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/28 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/29
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153060,7 +153280,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/29 (19 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/29 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/30
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153078,7 +153298,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/30 (16 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/30 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/31
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153096,7 +153316,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/31 (18 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/31 (7 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/32
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153115,7 +153335,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/32 (115 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/32 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/33
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153134,7 +153354,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/33 (94 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/33 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/34
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153153,7 +153373,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/34 (98 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/34 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/35
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153172,7 +153392,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/35 (110 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/35 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/36
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153191,7 +153411,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/36 (104 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/36 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/37
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153210,7 +153430,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/37 (118 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/37 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/38
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153229,7 +153449,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/38 (102 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/38 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/39
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153248,7 +153468,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/39 (104 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/39 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/40
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153267,7 +153487,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/40 (134 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/40 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/41
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153286,7 +153506,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/41 (90 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/41 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/42
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153305,7 +153525,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/42 (107 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/42 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/43
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153324,7 +153544,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/43 (98 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/43 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/44
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153343,7 +153563,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/44 (120 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/44 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/45
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153362,7 +153582,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/45 (115 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/45 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/46
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153381,7 +153601,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/46 (91 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/46 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/47
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153400,7 +153620,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/47 (153 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/47 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/48
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153420,7 +153640,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/48 (115 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/48 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/49
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153440,7 +153660,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/49 (107 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/49 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/50
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153460,7 +153680,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/50 (103 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/50 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/51
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153480,7 +153700,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/51 (132 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/51 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/52
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153500,7 +153720,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/52 (132 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/52 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/53
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153520,7 +153740,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/53 (127 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/53 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/54
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153540,7 +153760,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/54 (120 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/54 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/55
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153560,7 +153780,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/55 (110 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/55 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/56
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153580,7 +153800,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/56 (145 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/56 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/57
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153600,7 +153820,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/57 (105 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/57 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/58
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153620,7 +153840,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/58 (115 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/58 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/59
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153640,7 +153860,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/59 (103 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/59 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/60
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153660,7 +153880,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/60 (116 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/60 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/61
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153680,7 +153900,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/61 (150 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/61 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/62
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153700,7 +153920,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/62 (157 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/62 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/63
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153720,7 +153940,7 @@
 60: -------- -------- --- Thank You --- -------- --------
 60: 
 60: Merging hbonds with Acceptor and Donor swapped
-60: [       OK ] HBondTests/HbondModuleTest.Works/63 (138 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/63 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/64
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153738,7 +153958,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/64 (106 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/64 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/65
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153756,7 +153976,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/65 (133 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/65 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/66
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153774,7 +153994,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/66 (142 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/66 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/67
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153792,7 +154012,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/67 (106 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/67 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/68
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153810,7 +154030,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/68 (142 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/68 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/69
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153828,7 +154048,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/69 (112 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/69 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/70
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153846,7 +154066,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/70 (101 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/70 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/71
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153864,7 +154084,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/71 (141 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/71 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/72
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153882,7 +154102,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/72 (143 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/72 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/73
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153900,7 +154120,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/73 (105 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/73 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/74
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153918,7 +154138,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/74 (103 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/74 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/75
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153936,7 +154156,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/75 (113 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/75 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/76
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153954,7 +154174,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/76 (165 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/76 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/77
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153972,7 +154192,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/77 (160 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/77 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/78
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -153990,7 +154210,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/78 (100 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/78 (39 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/79
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -154008,7 +154228,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/79 (98 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/79 (39 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/80
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -154026,7 +154246,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/80 (101 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/80 (36 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/81
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -154044,7 +154264,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/81 (85 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/81 (35 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/82
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -154062,7 +154282,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/82 (85 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/82 (35 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/83
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -154080,7 +154300,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/83 (122 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/83 (35 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/84
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -154098,7 +154318,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/84 (141 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/84 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/85
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -154116,7 +154336,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/85 (125 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/85 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/86
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -154134,7 +154354,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/86 (118 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/86 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/87
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -154152,7 +154372,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/87 (94 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/87 (37 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/88
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -154170,7 +154390,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/88 (113 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/88 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/89
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -154188,7 +154408,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/89 (109 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/89 (39 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/90
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -154206,7 +154426,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/90 (110 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/90 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/91
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -154224,7 +154444,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/91 (119 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/91 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/92
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -154242,7 +154462,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/92 (91 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/92 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/93
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -154260,7 +154480,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/93 (103 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/93 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/94
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -154278,7 +154498,7 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/94 (106 ms)
+60: [       OK ] HBondTests/HbondModuleTest.Works/94 (38 ms)
 60: [ RUN      ] HBondTests/HbondModuleTest.Works/95
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 60: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -154296,8 +154516,8 @@
 60: DOI: 10.1021/acs.jcim.3c02087
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] HBondTests/HbondModuleTest.Works/95 (129 ms)
-60: [----------] 96 tests from HBondTests/HbondModuleTest (8847 ms total)
+60: [       OK ] HBondTests/HbondModuleTest.Works/95 (38 ms)
+60: [----------] 96 tests from HBondTests/HbondModuleTest (2971 ms total)
 60: 
 60: [----------] 4 tests from MoleculeTests/ScatteringModule
 60: [ RUN      ] MoleculeTests/ScatteringModule.DirectMode/0
@@ -154323,7 +154543,7 @@
 60: DOI: 10.1134/S1027451013060372
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/ScatteringModule.DirectMode/0 (20 ms)
+60: [       OK ] MoleculeTests/ScatteringModule.DirectMode/0 (6 ms)
 60: [ RUN      ] MoleculeTests/ScatteringModule.DirectMode/1
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 156 atoms
 60: 
Last frame          0 time    0.000   
@@ -154355,7 +154575,7 @@
 60: DOI: 10.1107/S0567739468000550
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/ScatteringModule.DirectMode/1 (290 ms)
+60: [       OK ] MoleculeTests/ScatteringModule.DirectMode/1 (158 ms)
 60: [ RUN      ] MoleculeTests/ScatteringModule.MCMode/0
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 156 atoms
 60: 
Last frame          0 time    0.000   
@@ -154379,7 +154599,7 @@
 60: DOI: 10.1134/S1027451013060372
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/ScatteringModule.MCMode/0 (13 ms)
+60: [       OK ] MoleculeTests/ScatteringModule.MCMode/0 (5 ms)
 60: [ RUN      ] MoleculeTests/ScatteringModule.MCMode/1
 60: Reading frames from pdb file
Reading frame       0 time    0.000    '', 156 atoms
 60: 
Last frame          0 time    0.000   
@@ -154411,13 +154631,13 @@
 60: DOI: 10.1107/S0567739468000550
 60: -------- -------- --- Thank You --- -------- --------
 60: 
-60: [       OK ] MoleculeTests/ScatteringModule.MCMode/1 (63 ms)
-60: [----------] 4 tests from MoleculeTests/ScatteringModule (389 ms total)
+60: [       OK ] MoleculeTests/ScatteringModule.MCMode/1 (36 ms)
+60: [----------] 4 tests from MoleculeTests/ScatteringModule (208 ms total)
 60: 
 60: [----------] Global test environment tear-down
-60: [==========] 393 tests from 21 test suites ran. (15194 ms total)
+60: [==========] 393 tests from 21 test suites ran. (5955 ms total)
 60: [  PASSED  ] 393 tests.
-60/92 Test #60: TrajectoryAnalysisUnitTests ...............   Passed   15.23 sec
+60/92 Test #60: TrajectoryAnalysisUnitTests ...............   Passed    5.98 sec
 test 61
       Start 61: EnergyAnalysisUnitTests
 
@@ -154428,10 +154648,10 @@
 61: [----------] Global test environment set-up.
 61: [----------] 2 tests from EnergyTermTest
 61: [ RUN      ] EnergyTermTest.ConstructWorks
-61: [       OK ] EnergyTermTest.ConstructWorks (3 ms)
+61: [       OK ] EnergyTermTest.ConstructWorks (0 ms)
 61: [ RUN      ] EnergyTermTest.AddFrameWorks
 61: [       OK ] EnergyTermTest.AddFrameWorks (0 ms)
-61: [----------] 2 tests from EnergyTermTest (3 ms total)
+61: [----------] 2 tests from EnergyTermTest (0 ms total)
 61: 
 61: [----------] 1 test from DhdlTest
 61: [ RUN      ] DhdlTest.ExtractDhdl
@@ -154442,8 +154662,8 @@
 61: 
 61: 
 61: Wrote 8 lambda values with 101 samples as 808 dH data blocks to /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/energyanalysis/tests/Testing/Temporary/DhdlTest_ExtractDhdl_dhdl.xvg
-61: [       OK ] DhdlTest.ExtractDhdl (27 ms)
-61: [----------] 1 test from DhdlTest (27 ms total)
+61: [       OK ] DhdlTest.ExtractDhdl (4 ms)
+61: [----------] 1 test from DhdlTest (4 ms total)
 61: 
 61: [----------] 1 test from OriresTest
 61: [ RUN      ] OriresTest.ExtractOrires
@@ -154454,8 +154674,8 @@
 61: End your selection with 0
 61: Selecting all 7 orientation restraints
 61: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.002         
Reading energy frame      2 time    0.004         
Reading energy frame      3 time    0.006         
Reading energy frame      4 time    0.008         
Reading energy frame      5 time    0.010         
Reading energy frame      6 time    0.012         
Reading energy frame      7 time    0.014         
Reading energy frame      8 time    0.016         
Reading energy frame      9 time    0.018         
Reading energy frame     10 time    0.020         
Last energy frame read 10 time    0.020         
-61: [       OK ] OriresTest.ExtractOrires (21 ms)
-61: [----------] 1 test from OriresTest (21 ms total)
+61: [       OK ] OriresTest.ExtractOrires (5 ms)
+61: [----------] 1 test from OriresTest (5 ms total)
 61: 
 61: [----------] 5 tests from EnergyTest
 61: [ RUN      ] EnergyTest.ExtractEnergy
@@ -154486,7 +154706,7 @@
 61: Potential                  -34142.2         39    228.993   -62.8906  (kJ/mol)
 61: Kinetic En.                 6132.38       0.42    119.428  -0.266996  (kJ/mol)
 61: Total Energy               -28009.8         39    258.637   -63.1577  (kJ/mol)
-61: [       OK ] EnergyTest.ExtractEnergy (5 ms)
+61: [       OK ] EnergyTest.ExtractEnergy (1 ms)
 61: [ RUN      ] EnergyTest.ExtractEnergyByNumber
 61: Opened /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file
 61: 
@@ -154515,7 +154735,7 @@
 61: Coul. recip.                302.771        2.8    17.5152    12.5403  (kJ/mol)
 61: Kinetic En.                 6132.38       0.42    119.428  -0.266996  (kJ/mol)
 61: Pres. DC                    -268.49          3    8.52175    13.2804  (bar)
-61: [       OK ] EnergyTest.ExtractEnergyByNumber (3 ms)
+61: [       OK ] EnergyTest.ExtractEnergyByNumber (1 ms)
 61: [ RUN      ] EnergyTest.ExtractEnergyMixed
 61: Opened /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file
 61: 
@@ -154545,7 +154765,7 @@
 61: Pressure                    5.34371        4.1    605.307   -4.88771  (bar)
 61: Box-Z                       2.92457     0.0054  0.0151558  0.0234974  (nm)
 61: Volume                      25.0162       0.14   0.386769   0.598615  (nm^3)
-61: [       OK ] EnergyTest.ExtractEnergyMixed (6 ms)
+61: [       OK ] EnergyTest.ExtractEnergyMixed (1 ms)
 61: [ RUN      ] EnergyTest.ExtractEnergyWithNumberInName
 61: Opened /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/tests/ener_numberInName.edr as single precision energy file
 61: 
@@ -154572,7 +154792,7 @@
 61: Energy                      Average   Err.Est.       RMSD  Tot-Drift
 61: -------------------------------------------------------------------------------
 61: 1/Viscosity                 57767.2         --    10666.2     -25998  (m s/kg)
-61: [       OK ] EnergyTest.ExtractEnergyWithNumberInName (1 ms)
+61: [       OK ] EnergyTest.ExtractEnergyWithNumberInName (0 ms)
 61: [ RUN      ] EnergyTest.ExtractEnergyWithNumberInNameAndAlsoByNumber
 61: Opened /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/tests/ener_numberInName.edr as single precision energy file
 61: 
@@ -154600,8 +154820,8 @@
 61: -------------------------------------------------------------------------------
 61: LJ (SR)                    -14.1095         --   0.384124   0.932214  (kJ/mol)
 61: 1/Viscosity                 57767.2         --    10666.2     -25998  (m s/kg)
-61: [       OK ] EnergyTest.ExtractEnergyWithNumberInNameAndAlsoByNumber (7 ms)
-61: [----------] 5 tests from EnergyTest (26 ms total)
+61: [       OK ] EnergyTest.ExtractEnergyWithNumberInNameAndAlsoByNumber (0 ms)
+61: [----------] 5 tests from EnergyTest (4 ms total)
 61: 
 61: [----------] 3 tests from ViscosityTest
 61: [ RUN      ] ViscosityTest.EinsteinViscosity
@@ -154627,7 +154847,7 @@
 61: Pressure                    5.34371        4.1    605.307   -4.88771  (bar)
 61: 
 61: Computing shear viscosity using the Einstein relation with 6 start points separated by 0.2 ps
-61: [       OK ] ViscosityTest.EinsteinViscosity (53 ms)
+61: [       OK ] ViscosityTest.EinsteinViscosity (16 ms)
 61: [ RUN      ] ViscosityTest.EinsteinViscosityIntegral
 61: Opened /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file
 61: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.200         
Reading energy frame      2 time    0.400         
Reading energy frame      3 time    0.600         
Reading energy frame      4 time    0.800         
Reading energy frame      5 time    1.000         
Reading energy frame      6 time    1.200         
Reading energy frame      7 time    1.400         
Reading energy frame      8 time    1.600         
Reading energy frame      9 time    1.800         
Reading energy frame     10 time    2.000         
Reading energy frame     11 time    2.200         
Reading energy frame     12 time    2.400         
Reading energy frame     13 time    2.600         
Reading energy frame     14 time    2.800         
Reading energy frame     15 time    3.000         
Reading energy frame     16 time    3.200         
Reading energy frame     17 time    3.400         
Reading energy frame     18 time    3.600         
Reading energy frame     19 time    3.800         
Reading energy frame     20 time    4.000         
Reading energy frame     30 time    6.000         
Reading energy frame     40 time    8.000         
Reading energy frame     50 time   10.000         
Last energy frame read 50 time   10.000         
@@ -154651,7 +154871,7 @@
 61: Pressure                    5.34371        4.1    605.307   -4.88771  (bar)
 61: 
 61: Computing shear viscosity using the Einstein relation with 6 start points separated by 0.2 ps
-61: [       OK ] ViscosityTest.EinsteinViscosityIntegral (37 ms)
+61: [       OK ] ViscosityTest.EinsteinViscosityIntegral (18 ms)
 61: [ RUN      ] ViscosityTest.EinsteinViscosityDefaultArguments
 61: Opened /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file
 61: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.200         
Reading energy frame      2 time    0.400         
Reading energy frame      3 time    0.600         
Reading energy frame      4 time    0.800         
Reading energy frame      5 time    1.000         
Reading energy frame      6 time    1.200         
Reading energy frame      7 time    1.400         
Reading energy frame      8 time    1.600         
Reading energy frame      9 time    1.800         
Reading energy frame     10 time    2.000         
Reading energy frame     11 time    2.200         
Reading energy frame     12 time    2.400         
Reading energy frame     13 time    2.600         
Reading energy frame     14 time    2.800         
Reading energy frame     15 time    3.000         
Reading energy frame     16 time    3.200         
Reading energy frame     17 time    3.400         
Reading energy frame     18 time    3.600         
Reading energy frame     19 time    3.800         
Reading energy frame     20 time    4.000         
Reading energy frame     30 time    6.000         
Reading energy frame     40 time    8.000         
Reading energy frame     50 time   10.000         
Last energy frame read 50 time   10.000         
@@ -154676,12 +154896,12 @@
 61: 
 61: Computing shear viscosity using the Einstein relation with 6 start points separated by 0.2 ps
 61: [       OK ] ViscosityTest.EinsteinViscosityDefaultArguments (16 ms)
-61: [----------] 3 tests from ViscosityTest (108 ms total)
+61: [----------] 3 tests from ViscosityTest (52 ms total)
 61: 
 61: [----------] Global test environment tear-down
-61: [==========] 12 tests from 5 test suites ran. (186 ms total)
+61: [==========] 12 tests from 5 test suites ran. (67 ms total)
 61: [  PASSED  ] 12 tests.
-61/92 Test #61: EnergyAnalysisUnitTests ...................   Passed    0.20 sec
+61/92 Test #61: EnergyAnalysisUnitTests ...................   Passed    0.08 sec
 test 62
       Start 62: ToolUnitTests
 
@@ -154721,7 +154941,7 @@
 62: 
 62: 
 62: There were 4 NOTEs
-62: Setting the LD random seed to -8686598
+62: Setting the LD random seed to 931135487
 62: 
 62: Generated 330891 of the 330891 non-bonded parameter combinations
 62: 
@@ -154751,7 +154971,7 @@
 62:    comm-mode                      = Linear
 62:    nstcomm                        = 100
 62:    bd-fric                        = 0
-62:    ld-seed                        = -8686598
+62:    ld-seed                        = 931135487
 62:    emtol                          = 10
 62:    emstep                         = 0.01
 62:    niter                          = 20
@@ -157656,12 +157876,12 @@
 62: Compressed X:     156  (total 156 atoms)
 62: Or. Res. Fit:     156  (total 156 atoms)
 62: QMMM        :     156  (total 156 atoms)
-62: [       OK ] DumpTest.WorksWithTpr (7 ms)
+62: [       OK ] DumpTest.WorksWithTpr (3 ms)
 62: [ RUN      ] DumpTest.WorksWithTprAndMdpWriting
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 62: [       OK ] DumpTest.WorksWithTprAndMdpWriting (0 ms)
-62: [----------] 2 tests from DumpTest (9 ms total)
+62: [----------] 2 tests from DumpTest (4 ms total)
 62: 
 62: [----------] 3 tests from HelpwritingTest
 62: [ RUN      ] HelpwritingTest.ConvertTprWritesHelp
@@ -157670,7 +157890,7 @@
 62: [       OK ] HelpwritingTest.DumpWritesHelp (0 ms)
 62: [ RUN      ] HelpwritingTest.ReportMethodsWritesHelp
 62: [       OK ] HelpwritingTest.ReportMethodsWritesHelp (0 ms)
-62: [----------] 3 tests from HelpwritingTest (3 ms total)
+62: [----------] 3 tests from HelpwritingTest (0 ms total)
 62: 
 62: [----------] 7 tests from GmxMakeNdx
 62: [ RUN      ] GmxMakeNdx.WritesDefaultProteinIndexGroups
@@ -157700,7 +157920,7 @@
 62:  'ri': residue index
 62: 
 62: > 
-62: [       OK ] GmxMakeNdx.WritesDefaultProteinIndexGroups (5 ms)
+62: [       OK ] GmxMakeNdx.WritesDefaultProteinIndexGroups (1 ms)
 62: [ RUN      ] GmxMakeNdx.HandlesNoStructureInput
 62: Going to read 1 old index file(s)
 62: Deducing 22 atoms in the system from indices in the index file
@@ -157734,7 +157954,7 @@
 62: Merged two groups with OR: 22 10 -> 22
 62: 
 62: > 
-62: [       OK ] GmxMakeNdx.HandlesNoStructureInput (1 ms)
+62: [       OK ] GmxMakeNdx.HandlesNoStructureInput (0 ms)
 62: [ RUN      ] GmxMakeNdx.HandlesNotProtein
 62: Going to read 1 old index file(s)
 62: Deducing 6 atoms in the system from indices in the index file
@@ -157802,7 +158022,7 @@
 62: Removed group 0 'System'
 62: 
 62: > 
-62: [       OK ] GmxMakeNdx.HandlesEmptyIndexFile (5 ms)
+62: [       OK ] GmxMakeNdx.HandlesEmptyIndexFile (0 ms)
 62: [ RUN      ] GmxMakeNdx.Splitres
 62: 
 62: Reading structure file
@@ -157849,7 +158069,7 @@
 62: 
 62: > 
 62: [       OK ] GmxMakeNdx.Splitat (0 ms)
-62: [----------] 7 tests from GmxMakeNdx (17 ms total)
+62: [----------] 7 tests from GmxMakeNdx (4 ms total)
 62: 
 62: [----------] 4 tests from ReportMethodsTest
 62: 
@@ -157882,7 +158102,7 @@
 62: 
 62: 
 62: There were 4 NOTEs
-62: Setting the LD random seed to -1644507265
+62: Setting the LD random seed to 1845291901
 62: 
 62: Generated 330891 of the 330891 non-bonded parameter combinations
 62: 
@@ -157915,8 +158135,8 @@
 62: The Cut-off algorithm was used for electrostatic interactions.
 62: with a cut-off of 1 nm.
 62: A single cut-off of 1.1 nm was used for Van der Waals interactions.
-62: [       OK ] ReportMethodsTest.ToolEndToEndTest (14 ms)
-62: [----------] 4 tests from ReportMethodsTest (20 ms total)
+62: [       OK ] ReportMethodsTest.ToolEndToEndTest (3 ms)
+62: [----------] 4 tests from ReportMethodsTest (3 ms total)
 62: 
 62: [----------] 4 tests from ConvertTprTest
 62: [ RUN      ] ConvertTprTest.ExtendRuntimeExtensionTest
@@ -157955,7 +158175,7 @@
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_ExtendRuntimeExtensionTest_extended.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_ExtendRuntimeExtensionTest_extended.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_ExtendRuntimeExtensionTest_extended_again.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-62: Setting the LD random seed to 2145304575
+62: Setting the LD random seed to 2146429667
 62: 
 62: Generated 330891 of the 330891 non-bonded parameter combinations
 62: 
@@ -158005,7 +158225,7 @@
 62:   Run end step                                  200000     
 62:   Run end time                                     200 ps  
 62: 
-62: [       OK ] ConvertTprTest.ExtendRuntimeExtensionTest (408 ms)
+62: [       OK ] ConvertTprTest.ExtendRuntimeExtensionTest (207 ms)
 62: [ RUN      ] ConvertTprTest.UntilRuntimeExtensionTest
 62: 
 62: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_UntilRuntimeExtensionTest_lysozyme.mdp]:
@@ -158040,7 +158260,7 @@
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_UntilRuntimeExtensionTest_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_UntilRuntimeExtensionTest_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_UntilRuntimeExtensionTest_extended.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-62: Setting the LD random seed to 1576762541
+62: Setting the LD random seed to -570702145
 62: 
 62: Generated 330891 of the 330891 non-bonded parameter combinations
 62: 
@@ -158072,7 +158292,7 @@
 62:   Run end step                                  100000     
 62:   Run end time                                     100 ps  
 62: 
-62: [       OK ] ConvertTprTest.UntilRuntimeExtensionTest (425 ms)
+62: [       OK ] ConvertTprTest.UntilRuntimeExtensionTest (209 ms)
 62: [ RUN      ] ConvertTprTest.nstepRuntimeExtensionTest
 62: 
 62: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_nstepRuntimeExtensionTest_lysozyme.mdp]:
@@ -158108,7 +158328,7 @@
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_nstepRuntimeExtensionTest_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 62: Setting nsteps to 102
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_nstepRuntimeExtensionTest_extended.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-62: Setting the LD random seed to -1079268353
+62: Setting the LD random seed to -1661108261
 62: 
 62: Generated 330891 of the 330891 non-bonded parameter combinations
 62: 
@@ -158139,7 +158359,7 @@
 62:   Run end step                                     102     
 62:   Run end time                                   0.102 ps  
 62: 
-62: [       OK ] ConvertTprTest.nstepRuntimeExtensionTest (498 ms)
+62: [       OK ] ConvertTprTest.nstepRuntimeExtensionTest (212 ms)
 62: [ RUN      ] ConvertTprTest.generateVelocitiesTest
 62: 
 62: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_generateVelocitiesTest_lysozyme.mdp]:
@@ -158174,7 +158394,7 @@
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_generateVelocitiesTest_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_generateVelocitiesTest_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_generateVelocitiesTest_new_velocities.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-62: Setting the LD random seed to -688130763
+62: Setting the LD random seed to -1782580292
 62: 
 62: Generated 330891 of the 330891 non-bonded parameter combinations
 62: 
@@ -158188,8 +158408,8 @@
 62: Analysing Protein...
 62: 
 62: This run will generate roughly 0 Mb of data
-62: [       OK ] ConvertTprTest.generateVelocitiesTest (503 ms)
-62: [----------] 4 tests from ConvertTprTest (1853 ms total)
+62: [       OK ] ConvertTprTest.generateVelocitiesTest (212 ms)
+62: [----------] 4 tests from ConvertTprTest (844 ms total)
 62: 
 62: [----------] 1 test from ConvertTprNoVelocityTest
 62: [ RUN      ] ConvertTprNoVelocityTest.refuseToGenerateVelocitiesWhenTprDidNotHaveVelocitiesInitiallyTest
@@ -158227,7 +158447,7 @@
 62: 
 62: There were 4 NOTEs
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ConvertTprNoVelocityTest_refuseToGenerateVelocitiesWhenTprDidNotHaveVelocitiesInitiallyTest_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-62: Setting the LD random seed to -268588201
+62: Setting the LD random seed to -210505927
 62: 
 62: Generated 330891 of the 330891 non-bonded parameter combinations
 62: 
@@ -158239,8 +158459,8 @@
 62: Analysing Protein...
 62: 
 62: This run will generate roughly 0 Mb of data
-62: [       OK ] ConvertTprNoVelocityTest.refuseToGenerateVelocitiesWhenTprDidNotHaveVelocitiesInitiallyTest (594 ms)
-62: [----------] 1 test from ConvertTprNoVelocityTest (594 ms total)
+62: [       OK ] ConvertTprNoVelocityTest.refuseToGenerateVelocitiesWhenTprDidNotHaveVelocitiesInitiallyTest (215 ms)
+62: [----------] 1 test from ConvertTprNoVelocityTest (215 ms total)
 62: 
 62: [----------] 12 tests from Works/TrjconvWithDifferentInputFormats
 62: [ RUN      ] Works/TrjconvWithDifferentInputFormats.WithIndexGroupSubset/file_spc2_traj_trr
@@ -158257,7 +158477,7 @@
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
 62: Select group for output
 62: Selected 2: 'SecondWaterMolecule'
-62: [       OK ] Works/TrjconvWithDifferentInputFormats.WithIndexGroupSubset/file_spc2_traj_trr (1 ms)
+62: [       OK ] Works/TrjconvWithDifferentInputFormats.WithIndexGroupSubset/file_spc2_traj_trr (0 ms)
 62: [ RUN      ] Works/TrjconvWithDifferentInputFormats.WithIndexGroupSubset/file_spc2_traj_tng
 62: Will write trr: Trajectory in portable xdr format
 62: Group     0 (         System) has     6 elements
@@ -158273,7 +158493,7 @@
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
 62: Select group for output
 62: Selected 2: 'SecondWaterMolecule'
-62: [       OK ] Works/TrjconvWithDifferentInputFormats.WithIndexGroupSubset/file_spc2_traj_tng (1 ms)
+62: [       OK ] Works/TrjconvWithDifferentInputFormats.WithIndexGroupSubset/file_spc2_traj_tng (0 ms)
 62: [ RUN      ] Works/TrjconvWithDifferentInputFormats.WithIndexGroupSubset/file_spc2_traj_xtc
 62: Will write trr: Trajectory in portable xdr format
 62: Group     0 (         System) has     6 elements
@@ -158287,7 +158507,7 @@
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
 62: Select group for output
 62: Selected 2: 'SecondWaterMolecule'
-62: [       OK ] Works/TrjconvWithDifferentInputFormats.WithIndexGroupSubset/file_spc2_traj_xtc (1 ms)
+62: [       OK ] Works/TrjconvWithDifferentInputFormats.WithIndexGroupSubset/file_spc2_traj_xtc (0 ms)
 62: [ RUN      ] Works/TrjconvWithDifferentInputFormats.WithIndexGroupSubset/file_spc2_traj_gro
 62: Will write trr: Trajectory in portable xdr format
 62: Group     0 (         System) has     6 elements
@@ -158304,7 +158524,7 @@
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
 62: Select group for output
 62: Selected 2: 'SecondWaterMolecule'
-62: [       OK ] Works/TrjconvWithDifferentInputFormats.WithIndexGroupSubset/file_spc2_traj_gro (1 ms)
+62: [       OK ] Works/TrjconvWithDifferentInputFormats.WithIndexGroupSubset/file_spc2_traj_gro (0 ms)
 62: [ RUN      ] Works/TrjconvWithDifferentInputFormats.WithIndexGroupSubset/file_spc2_traj_pdb
 62: Will write trr: Trajectory in portable xdr format
 62: Group     0 (         System) has     6 elements
@@ -158321,7 +158541,7 @@
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
 62: Select group for output
 62: Selected 2: 'SecondWaterMolecule'
-62: [       OK ] Works/TrjconvWithDifferentInputFormats.WithIndexGroupSubset/file_spc2_traj_pdb (1 ms)
+62: [       OK ] Works/TrjconvWithDifferentInputFormats.WithIndexGroupSubset/file_spc2_traj_pdb (0 ms)
 62: [ RUN      ] Works/TrjconvWithDifferentInputFormats.WithIndexGroupSubset/file_spc2_traj_g96
 62: Will write trr: Trajectory in portable xdr format
 62: Group     0 (         System) has     6 elements
@@ -158335,7 +158555,7 @@
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
 62: Select group for output
 62: Selected 2: 'SecondWaterMolecule'
-62: [       OK ] Works/TrjconvWithDifferentInputFormats.WithIndexGroupSubset/file_spc2_traj_g96 (3 ms)
+62: [       OK ] Works/TrjconvWithDifferentInputFormats.WithIndexGroupSubset/file_spc2_traj_g96 (0 ms)
 62: [ RUN      ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_trr
 62: Will write trr: Trajectory in portable xdr format
 62: Group     0 (         System) has     6 elements
@@ -158349,7 +158569,7 @@
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
 62: Select group for output
 62: Selected 2: 'SecondWaterMolecule'
-62: [       OK ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_trr (1 ms)
+62: [       OK ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_trr (0 ms)
 62: [ RUN      ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_tng
 62: Will write trr: Trajectory in portable xdr format
 62: Group     0 (         System) has     6 elements
@@ -158365,7 +158585,7 @@
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
 62: Select group for output
 62: Selected 2: 'SecondWaterMolecule'
-62: [       OK ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_tng (1 ms)
+62: [       OK ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_tng (0 ms)
 62: [ RUN      ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_xtc
 62: Will write trr: Trajectory in portable xdr format
 62: Group     0 (         System) has     6 elements
@@ -158396,7 +158616,7 @@
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
 62: Select group for output
 62: Selected 2: 'SecondWaterMolecule'
-62: [       OK ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_gro (4 ms)
+62: [       OK ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_gro (0 ms)
 62: [ RUN      ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_pdb
 62: Will write trr: Trajectory in portable xdr format
 62: Group     0 (         System) has     6 elements
@@ -158427,8 +158647,8 @@
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
 62: Select group for output
 62: Selected 2: 'SecondWaterMolecule'
-62: [       OK ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_g96 (12 ms)
-62: [----------] 12 tests from Works/TrjconvWithDifferentInputFormats (32 ms total)
+62: [       OK ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_g96 (3 ms)
+62: [----------] 12 tests from Works/TrjconvWithDifferentInputFormats (7 ms total)
 62: 
 62: [----------] 30 tests from Works/TrjconvDumpTest
 62: [ RUN      ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_trr_dump_time__1_00
@@ -158461,7 +158681,7 @@
 62: 
 62: 
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
-62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_trr_dump_time_0_30 (4 ms)
+62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_trr_dump_time_0_30 (0 ms)
 62: [ RUN      ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_trr_dump_time_1_00
 62: Will write trr: Trajectory in portable xdr format
 62: 
Reading frame       0 time    0.000   
Reading frame       0 time    0.000   
Reading frame       1 time    1.000   
Last frame          1 time    1.000   
@@ -158599,7 +158819,7 @@
 62: 
 62: 
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
-62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_xtc_dump_time_999999_00 (1 ms)
+62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_xtc_dump_time_999999_00 (0 ms)
 62: [ RUN      ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_gro_dump_time__1_00
 62: Will write trr: Trajectory in portable xdr format
 62: Reading frames from gro file 'Generated by trjconv t=   0.00000 step= 0', 6 atoms.
@@ -158613,7 +158833,7 @@
 62: 
 62: 
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
-62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_gro_dump_time__1_00 (1 ms)
+62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_gro_dump_time__1_00 (0 ms)
 62: [ RUN      ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_gro_dump_time_0_00
 62: Will write trr: Trajectory in portable xdr format
 62: Reading frames from gro file 'Generated by trjconv t=   0.00000 step= 0', 6 atoms.
@@ -158627,7 +158847,7 @@
 62: 
 62: 
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
-62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_gro_dump_time_0_00 (2 ms)
+62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_gro_dump_time_0_00 (0 ms)
 62: [ RUN      ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_gro_dump_time_0_30
 62: Will write trr: Trajectory in portable xdr format
 62: Reading frames from gro file 'Generated by trjconv t=   0.00000 step= 0', 6 atoms.
@@ -158642,7 +158862,7 @@
 62: 
 62: 
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
-62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_gro_dump_time_0_30 (1 ms)
+62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_gro_dump_time_0_30 (0 ms)
 62: [ RUN      ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_gro_dump_time_1_00
 62: Will write trr: Trajectory in portable xdr format
 62: Reading frames from gro file 'Generated by trjconv t=   0.00000 step= 0', 6 atoms.
@@ -158657,7 +158877,7 @@
 62: 
 62: 
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
-62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_gro_dump_time_1_00 (1 ms)
+62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_gro_dump_time_1_00 (0 ms)
 62: [ RUN      ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_gro_dump_time_999999_00
 62: Will write trr: Trajectory in portable xdr format
 62: Reading frames from gro file 'Generated by trjconv t=   0.00000 step= 0', 6 atoms.
@@ -158672,7 +158892,7 @@
 62: 
 62: 
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
-62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_gro_dump_time_999999_00 (1 ms)
+62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_gro_dump_time_999999_00 (0 ms)
 62: [ RUN      ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_pdb_dump_time__1_00
 62: Will write trr: Trajectory in portable xdr format
 62: Reading frames from pdb file
Reading frame       0 time    0.000   Reading frames from pdb file
Reading frame       0 time    0.000   
@@ -158685,7 +158905,7 @@
 62: 
 62: 
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
-62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_pdb_dump_time__1_00 (1 ms)
+62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_pdb_dump_time__1_00 (0 ms)
 62: [ RUN      ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_pdb_dump_time_0_00
 62: Will write trr: Trajectory in portable xdr format
 62: Reading frames from pdb file
Reading frame       0 time    0.000   Reading frames from pdb file
Reading frame       0 time    0.000   
@@ -158698,7 +158918,7 @@
 62: 
 62: 
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
-62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_pdb_dump_time_0_00 (1 ms)
+62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_pdb_dump_time_0_00 (0 ms)
 62: [ RUN      ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_pdb_dump_time_0_30
 62: Will write trr: Trajectory in portable xdr format
 62: Reading frames from pdb file
Reading frame       0 time    0.000   Reading frames from pdb file
Reading frame       0 time    0.000   
@@ -158712,7 +158932,7 @@
 62: 
 62: 
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
-62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_pdb_dump_time_0_30 (1 ms)
+62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_pdb_dump_time_0_30 (0 ms)
 62: [ RUN      ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_pdb_dump_time_1_00
 62: Will write trr: Trajectory in portable xdr format
 62: Reading frames from pdb file
Reading frame       0 time    0.000   Reading frames from pdb file
Reading frame       0 time    0.000   
@@ -158726,7 +158946,7 @@
 62: 
 62: 
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
-62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_pdb_dump_time_1_00 (4 ms)
+62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_pdb_dump_time_1_00 (0 ms)
 62: [ RUN      ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_pdb_dump_time_999999_00
 62: Will write trr: Trajectory in portable xdr format
 62: Reading frames from pdb file
Reading frame       0 time    0.000   Reading frames from pdb file
Reading frame       0 time    0.000   
@@ -158794,12 +159014,12 @@
 62: 
 62: Note that major changes are planned in future for trjconv, to improve usability and utility.
 62: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_g96_dump_time_999999_00 (0 ms)
-62: [----------] 30 tests from Works/TrjconvDumpTest (32 ms total)
+62: [----------] 30 tests from Works/TrjconvDumpTest (9 ms total)
 62: 
 62: [----------] Global test environment tear-down
-62: [==========] 63 tests from 8 test suites ran. (3775 ms total)
+62: [==========] 63 tests from 8 test suites ran. (1519 ms total)
 62: [  PASSED  ] 63 tests.
-62/92 Test #62: ToolUnitTests .............................   Passed    3.80 sec
+62/92 Test #62: ToolUnitTests .............................   Passed    1.54 sec
 test 63
       Start 63: ToolWithLeaksUnitTests
 
@@ -158860,7 +159080,7 @@
 63: Reduced ilist     LJ14 from    399 to    107 entries
 63: Reduced block    excls from    156 to     75 index-,   1828 to    635 a-entries
 63: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_selectIndexTest_extended.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-63: Setting the LD random seed to -132889
+63: Setting the LD random seed to 931065597
 63: 
 63: Generated 330891 of the 330891 non-bonded parameter combinations
 63: 
@@ -158875,8 +159095,8 @@
 63: 
 63: This run will generate roughly 0 Mb of data
 63: Selected 2: 'Protein-H'
-63: [       OK ] ConvertTprTest.selectIndexTest (350 ms)
-63: [----------] 1 test from ConvertTprTest (350 ms total)
+63: [       OK ] ConvertTprTest.selectIndexTest (225 ms)
+63: [----------] 1 test from ConvertTprTest (225 ms total)
 63: 
 63: [----------] 1 test from ConvertTprNoVelocityTest
 63: [ RUN      ] ConvertTprNoVelocityTest.selectIndexTestWithoutVelocity
@@ -158933,7 +159153,7 @@
 63: Reduced ilist     LJ14 from    399 to    107 entries
 63: Reduced block    excls from    156 to     75 index-,   1828 to    635 a-entries
 63: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ConvertTprNoVelocityTest_selectIndexTestWithoutVelocity_extended.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
-63: Setting the LD random seed to -16918545
+63: Setting the LD random seed to -1141412449
 63: 
 63: Generated 330891 of the 330891 non-bonded parameter combinations
 63: 
@@ -158946,13 +159166,13 @@
 63: 
 63: This run will generate roughly 0 Mb of data
 63: Selected 2: 'Protein-H'
-63: [       OK ] ConvertTprNoVelocityTest.selectIndexTestWithoutVelocity (407 ms)
-63: [----------] 1 test from ConvertTprNoVelocityTest (408 ms total)
+63: [       OK ] ConvertTprNoVelocityTest.selectIndexTestWithoutVelocity (212 ms)
+63: [----------] 1 test from ConvertTprNoVelocityTest (212 ms total)
 63: 
 63: [----------] Global test environment tear-down
-63: [==========] 2 tests from 2 test suites ran. (764 ms total)
+63: [==========] 2 tests from 2 test suites ran. (438 ms total)
 63: [  PASSED  ] 2 tests.
-63/92 Test #63: ToolWithLeaksUnitTests ....................   Passed    0.79 sec
+63/92 Test #63: ToolWithLeaksUnitTests ....................   Passed    0.45 sec
 test 64
       Start 64: FileIOTests
 
@@ -158963,14 +159183,14 @@
 64: [----------] Global test environment set-up.
 64: [----------] 4 tests from Checkpoint
 64: [ RUN      ] Checkpoint.ReadingThrowsWhenValueNotPresent
-64: [       OK ] Checkpoint.ReadingThrowsWhenValueNotPresent (6 ms)
+64: [       OK ] Checkpoint.ReadingThrowsWhenValueNotPresent (0 ms)
 64: [ RUN      ] Checkpoint.ReadingDoesNotThrowWhenValuePresent
 64: [       OK ] Checkpoint.ReadingDoesNotThrowWhenValuePresent (0 ms)
 64: [ RUN      ] Checkpoint.KvtRoundTripInt64
 64: [       OK ] Checkpoint.KvtRoundTripInt64 (0 ms)
 64: [ RUN      ] Checkpoint.KvtRoundTripReal
 64: [       OK ] Checkpoint.KvtRoundTripReal (0 ms)
-64: [----------] 4 tests from Checkpoint (6 ms total)
+64: [----------] 4 tests from Checkpoint (0 ms total)
 64: 
 64: [----------] 1 test from StructureIOTest
 64: [ RUN      ] StructureIOTest.ReadTpsConfRetainsChainids
@@ -158997,14 +159217,14 @@
 64: 
 64: [----------] 4 tests from ColorMapTest
 64: [ RUN      ] ColorMapTest.CanReadFromFile
-64: [       OK ] ColorMapTest.CanReadFromFile (1 ms)
+64: [       OK ] ColorMapTest.CanReadFromFile (0 ms)
 64: [ RUN      ] ColorMapTest.CanWriteToFile
 64: [       OK ] ColorMapTest.CanWriteToFile (0 ms)
 64: [ RUN      ] ColorMapTest.RoundTrip
 64: [       OK ] ColorMapTest.RoundTrip (0 ms)
 64: [ RUN      ] ColorMapTest.SearchWorks
 64: [       OK ] ColorMapTest.SearchWorks (0 ms)
-64: [----------] 4 tests from ColorMapTest (1 ms total)
+64: [----------] 4 tests from ColorMapTest (0 ms total)
 64: 
 64: [----------] 4 tests from MatioTest
 64: [ RUN      ] MatioTest.CanWriteToFile
@@ -159016,8 +159236,8 @@
 64: Converted a 4x3 matrix with 4 levels to reals
 64: [       OK ] MatioTest.CanConvertToNewRealMatrix (0 ms)
 64: [ RUN      ] MatioTest.CanReadSingleMatrixAfterWriting
-64:  33% 66%100% 33% 66%100%[       OK ] MatioTest.CanReadSingleMatrixAfterWriting (2 ms)
-64: [----------] 4 tests from MatioTest (2 ms total)
+64:  33% 66%100% 33% 66%100%[       OK ] MatioTest.CanReadSingleMatrixAfterWriting (1 ms)
+64: [----------] 4 tests from MatioTest (1 ms total)
 64: 
 64: [----------] 3 tests from MrcSerializer
 64: [ RUN      ] MrcSerializer.DefaultHeaderValuesAreSet
@@ -159036,8 +159256,8 @@
 64: [ RUN      ] MrcDensityMap.ReadsCoordinateTransformationFromFile
 64: [       OK ] MrcDensityMap.ReadsCoordinateTransformationFromFile (0 ms)
 64: [ RUN      ] MrcDensityMap.ReadsDensityDataFromFile
-64: [       OK ] MrcDensityMap.ReadsDensityDataFromFile (1 ms)
-64: [----------] 4 tests from MrcDensityMap (1 ms total)
+64: [       OK ] MrcDensityMap.ReadsDensityDataFromFile (0 ms)
+64: [----------] 4 tests from MrcDensityMap (0 ms total)
 64: 
 64: [----------] 8 tests from MrcDensityMapHeaderTest
 64: [ RUN      ] MrcDensityMapHeaderTest.DataSizeIsZeroForDefaultHeader
@@ -159150,7 +159370,7 @@
 64: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/2 (0 ms)
 64: [ RUN      ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3
 64: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3 (0 ms)
-64: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest (2 ms total)
+64: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest (0 ms total)
 64: 
 64: [----------] 360 tests from FileTypeMatch/FileTypeTest
 64: [ RUN      ] FileTypeMatch/FileTypeTest.CorrectValueForNullptr/0
@@ -159873,23 +160093,23 @@
 64: [       OK ] FileTypeMatch/FileTypeTest.CorrectValueForExtension/178 (0 ms)
 64: [ RUN      ] FileTypeMatch/FileTypeTest.CorrectValueForExtension/179
 64: [       OK ] FileTypeMatch/FileTypeTest.CorrectValueForExtension/179 (0 ms)
-64: [----------] 360 tests from FileTypeMatch/FileTypeTest (10 ms total)
+64: [----------] 360 tests from FileTypeMatch/FileTypeTest (0 ms total)
 64: 
 64: [----------] 4 tests from XvgReadTimeSeries/XvgioTest
 64: [ RUN      ] XvgReadTimeSeries/XvgioTest.readXvgTimeSeriesWorks/0
-64: [       OK ] XvgReadTimeSeries/XvgioTest.readXvgTimeSeriesWorks/0 (1 ms)
+64: [       OK ] XvgReadTimeSeries/XvgioTest.readXvgTimeSeriesWorks/0 (0 ms)
 64: [ RUN      ] XvgReadTimeSeries/XvgioTest.readXvgTimeSeriesWorks/1
 64: [       OK ] XvgReadTimeSeries/XvgioTest.readXvgTimeSeriesWorks/1 (0 ms)
 64: [ RUN      ] XvgReadTimeSeries/XvgioTest.readXvgTimeSeriesWorks/2
 64: [       OK ] XvgReadTimeSeries/XvgioTest.readXvgTimeSeriesWorks/2 (0 ms)
 64: [ RUN      ] XvgReadTimeSeries/XvgioTest.readXvgTimeSeriesWorks/3
 64: [       OK ] XvgReadTimeSeries/XvgioTest.readXvgTimeSeriesWorks/3 (0 ms)
-64: [----------] 4 tests from XvgReadTimeSeries/XvgioTest (7 ms total)
+64: [----------] 4 tests from XvgReadTimeSeries/XvgioTest (0 ms total)
 64: 
 64: [----------] Global test environment tear-down
-64: [==========] 421 tests from 17 test suites ran. (35 ms total)
+64: [==========] 421 tests from 17 test suites ran. (6 ms total)
 64: [  PASSED  ] 421 tests.
-64/92 Test #64: FileIOTests ...............................   Passed    0.06 sec
+64/92 Test #64: FileIOTests ...............................   Passed    0.03 sec
 test 65
       Start 65: SelectionUnitTests
 
@@ -159934,7 +160154,7 @@
 65: [       OK ] IndexBlockTest.ChecksGroupForCompleteMoleculesPositive (0 ms)
 65: [ RUN      ] IndexBlockTest.ChecksGroupForCompleteMoleculesNegative
 65: [       OK ] IndexBlockTest.ChecksGroupForCompleteMoleculesNegative (0 ms)
-65: [----------] 15 tests from IndexBlockTest (8 ms total)
+65: [----------] 15 tests from IndexBlockTest (2 ms total)
 65: 
 65: [----------] 11 tests from IndexMapTest
 65: [ RUN      ] IndexMapTest.InitializesAtomBlock
@@ -159959,7 +160179,7 @@
 65: [       OK ] IndexMapTest.MapsResidueBlocksWithMask (0 ms)
 65: [ RUN      ] IndexMapTest.HandlesMultipleRequests
 65: [       OK ] IndexMapTest.HandlesMultipleRequests (0 ms)
-65: [----------] 11 tests from IndexMapTest (4 ms total)
+65: [----------] 11 tests from IndexMapTest (3 ms total)
 65: 
 65: [----------] 3 tests from IndexGroupsAndNamesTest
 65: [ RUN      ] IndexGroupsAndNamesTest.containsNames
@@ -159972,23 +160192,23 @@
 65: 
 65: [----------] 15 tests from NeighborhoodSearchTest
 65: [ RUN      ] NeighborhoodSearchTest.SimpleSearch
-65: [       OK ] NeighborhoodSearchTest.SimpleSearch (16 ms)
+65: [       OK ] NeighborhoodSearchTest.SimpleSearch (18 ms)
 65: [ RUN      ] NeighborhoodSearchTest.SimpleSearchXY
-65: [       OK ] NeighborhoodSearchTest.SimpleSearchXY (12 ms)
+65: [       OK ] NeighborhoodSearchTest.SimpleSearchXY (14 ms)
 65: [ RUN      ] NeighborhoodSearchTest.GridSearchBox
-65: [       OK ] NeighborhoodSearchTest.GridSearchBox (1 ms)
+65: [       OK ] NeighborhoodSearchTest.GridSearchBox (2 ms)
 65: [ RUN      ] NeighborhoodSearchTest.GridSearchTriclinic
-65: [       OK ] NeighborhoodSearchTest.GridSearchTriclinic (4 ms)
+65: [       OK ] NeighborhoodSearchTest.GridSearchTriclinic (6 ms)
 65: [ RUN      ] NeighborhoodSearchTest.GridSearch2DPBC
-65: [       OK ] NeighborhoodSearchTest.GridSearch2DPBC (2 ms)
+65: [       OK ] NeighborhoodSearchTest.GridSearch2DPBC (3 ms)
 65: [ RUN      ] NeighborhoodSearchTest.GridSearchNoPBC
-65: [       OK ] NeighborhoodSearchTest.GridSearchNoPBC (0 ms)
+65: [       OK ] NeighborhoodSearchTest.GridSearchNoPBC (1 ms)
 65: [ RUN      ] NeighborhoodSearchTest.GridSearchXYBox
 65: [       OK ] NeighborhoodSearchTest.GridSearchXYBox (1 ms)
 65: [ RUN      ] NeighborhoodSearchTest.SimpleSelfPairsSearch
 65: [       OK ] NeighborhoodSearchTest.SimpleSelfPairsSearch (0 ms)
 65: [ RUN      ] NeighborhoodSearchTest.GridSelfPairsSearch
-65: [       OK ] NeighborhoodSearchTest.GridSelfPairsSearch (38 ms)
+65: [       OK ] NeighborhoodSearchTest.GridSelfPairsSearch (25 ms)
 65: [ RUN      ] NeighborhoodSearchTest.HandlesConcurrentSearches
 65: [       OK ] NeighborhoodSearchTest.HandlesConcurrentSearches (0 ms)
 65: [ RUN      ] NeighborhoodSearchTest.HandlesNoPBC
@@ -160001,7 +160221,7 @@
 65: [       OK ] NeighborhoodSearchTest.SimpleSearchExclusions (2 ms)
 65: [ RUN      ] NeighborhoodSearchTest.GridSearchExclusions
 65: [       OK ] NeighborhoodSearchTest.GridSearchExclusions (0 ms)
-65: [----------] 15 tests from NeighborhoodSearchTest (99 ms total)
+65: [----------] 15 tests from NeighborhoodSearchTest (76 ms total)
 65: 
 65: [----------] 13 tests from PositionCalculationTest
 65: [ RUN      ] PositionCalculationTest.ComputesAtomPositions
@@ -160030,7 +160250,7 @@
 65: [       OK ] PositionCalculationTest.HandlesIdenticalStaticCalculations (0 ms)
 65: [ RUN      ] PositionCalculationTest.HandlesOverlappingStaticCalculations
 65: [       OK ] PositionCalculationTest.HandlesOverlappingStaticCalculations (0 ms)
-65: [----------] 13 tests from PositionCalculationTest (5 ms total)
+65: [----------] 13 tests from PositionCalculationTest (1 ms total)
 65: 
 65: [----------] 33 tests from SelectionCollectionTest
 65: [ RUN      ] SelectionCollectionTest.HandlesNoSelections
@@ -160099,7 +160319,7 @@
 65: [       OK ] SelectionCollectionTest.CanCopyEmptyCollection (0 ms)
 65: [ RUN      ] SelectionCollectionTest.CopiedSelectionListsAreHandledSeparately
 65: [       OK ] SelectionCollectionTest.CopiedSelectionListsAreHandledSeparately (0 ms)
-65: [----------] 33 tests from SelectionCollectionTest (17 ms total)
+65: [----------] 33 tests from SelectionCollectionTest (7 ms total)
 65: 
 65: [----------] 14 tests from SelectionCollectionInteractiveTest
 65: [ RUN      ] SelectionCollectionInteractiveTest.HandlesBasicInput
@@ -160123,14 +160343,14 @@
 65: [ RUN      ] SelectionCollectionInteractiveTest.HandlesNoFinalNewline
 65: [       OK ] SelectionCollectionInteractiveTest.HandlesNoFinalNewline (0 ms)
 65: [ RUN      ] SelectionCollectionInteractiveTest.HandlesEmptySelections
-65: [       OK ] SelectionCollectionInteractiveTest.HandlesEmptySelections (4 ms)
+65: [       OK ] SelectionCollectionInteractiveTest.HandlesEmptySelections (0 ms)
 65: [ RUN      ] SelectionCollectionInteractiveTest.HandlesMultipleSelectionsOnLine
 65: [       OK ] SelectionCollectionInteractiveTest.HandlesMultipleSelectionsOnLine (0 ms)
 65: [ RUN      ] SelectionCollectionInteractiveTest.HandlesNoninteractiveInput
 65: [       OK ] SelectionCollectionInteractiveTest.HandlesNoninteractiveInput (0 ms)
 65: [ RUN      ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputNoninteractively
 65: [       OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputNoninteractively (0 ms)
-65: [----------] 14 tests from SelectionCollectionInteractiveTest (21 ms total)
+65: [----------] 14 tests from SelectionCollectionInteractiveTest (3 ms total)
 65: 
 65: [----------] 70 tests from SelectionCollectionDataTest
 65: [ RUN      ] SelectionCollectionDataTest.HandlesAllNone
@@ -160166,13 +160386,13 @@
 65: [ RUN      ] SelectionCollectionDataTest.HandlesResname
 65: [       OK ] SelectionCollectionDataTest.HandlesResname (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.HandlesCoordinateKeywords
-65: [       OK ] SelectionCollectionDataTest.HandlesCoordinateKeywords (4 ms)
+65: [       OK ] SelectionCollectionDataTest.HandlesCoordinateKeywords (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.HandlesSameResidue
 65: [       OK ] SelectionCollectionDataTest.HandlesSameResidue (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.HandlesSameResidueName
 65: [       OK ] SelectionCollectionDataTest.HandlesSameResidueName (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.HandlesPositionKeywords
-65: [       OK ] SelectionCollectionDataTest.HandlesPositionKeywords (1 ms)
+65: [       OK ] SelectionCollectionDataTest.HandlesPositionKeywords (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.HandlesDistanceKeyword
 65: [       OK ] SelectionCollectionDataTest.HandlesDistanceKeyword (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.HandlesMinDistanceKeyword
@@ -160180,15 +160400,15 @@
 65: [ RUN      ] SelectionCollectionDataTest.HandlesWithinKeyword
 65: [       OK ] SelectionCollectionDataTest.HandlesWithinKeyword (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword
-65: [       OK ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword (9 ms)
+65: [       OK ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword (1 ms)
 65: [ RUN      ] SelectionCollectionDataTest.HandlesPermuteModifier
-65: [       OK ] SelectionCollectionDataTest.HandlesPermuteModifier (6 ms)
+65: [       OK ] SelectionCollectionDataTest.HandlesPermuteModifier (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.HandlesPlusModifier
-65: [       OK ] SelectionCollectionDataTest.HandlesPlusModifier (1 ms)
+65: [       OK ] SelectionCollectionDataTest.HandlesPlusModifier (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.HandlesMergeModifier
-65: [       OK ] SelectionCollectionDataTest.HandlesMergeModifier (1 ms)
+65: [       OK ] SelectionCollectionDataTest.HandlesMergeModifier (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.ComputesMassesAndCharges
-65: [       OK ] SelectionCollectionDataTest.ComputesMassesAndCharges (1 ms)
+65: [       OK ] SelectionCollectionDataTest.ComputesMassesAndCharges (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.ComputesMassesAndChargesWithoutTopology
 65: [       OK ] SelectionCollectionDataTest.ComputesMassesAndChargesWithoutTopology (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.HandlesFramesWithAtomSubsets
@@ -160200,7 +160420,7 @@
 65: [ RUN      ] SelectionCollectionDataTest.HandlesIndexGroupsInSelectionsDelayed
 65: [       OK ] SelectionCollectionDataTest.HandlesIndexGroupsInSelectionsDelayed (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections
-65: [       OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections (1 ms)
+65: [       OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelectionsDelayed
 65: [       OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelectionsDelayed (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.HandlesConstantPositions
@@ -160268,12 +160488,12 @@
 65: [ RUN      ] SelectionCollectionDataTest.CopiedSelectionWorksPreCompilation
 65: [       OK ] SelectionCollectionDataTest.CopiedSelectionWorksPreCompilation (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.CopiedSelectionWorksPostCompilation
-65: [       OK ] SelectionCollectionDataTest.CopiedSelectionWorksPostCompilation (7 ms)
+65: [       OK ] SelectionCollectionDataTest.CopiedSelectionWorksPostCompilation (1 ms)
 65: [ RUN      ] SelectionCollectionDataTest.CopiedSelectionsAreIndependent
-65: [       OK ] SelectionCollectionDataTest.CopiedSelectionsAreIndependent (3 ms)
+65: [       OK ] SelectionCollectionDataTest.CopiedSelectionsAreIndependent (0 ms)
 65: [ RUN      ] SelectionCollectionDataTest.CopiedSelectionWithIndexPostCompilation
-65: [       OK ] SelectionCollectionDataTest.CopiedSelectionWithIndexPostCompilation (1 ms)
-65: [----------] 70 tests from SelectionCollectionDataTest (120 ms total)
+65: [       OK ] SelectionCollectionDataTest.CopiedSelectionWithIndexPostCompilation (0 ms)
+65: [----------] 70 tests from SelectionCollectionDataTest (31 ms total)
 65: 
 65: [----------] 17 tests from SelectionOptionTest
 65: [ RUN      ] SelectionOptionTest.ParsesSimpleSelection
@@ -160310,7 +160530,7 @@
 65: [       OK ] SelectionOptionTest.HandlesDelayedOptionalSelection (0 ms)
 65: [ RUN      ] SelectionOptionTest.HandlesDelayedSelectionWithAdjuster
 65: [       OK ] SelectionOptionTest.HandlesDelayedSelectionWithAdjuster (0 ms)
-65: [----------] 17 tests from SelectionOptionTest (7 ms total)
+65: [----------] 17 tests from SelectionOptionTest (2 ms total)
 65: 
 65: [----------] 9 tests from SelectionFileOptionTest
 65: [ RUN      ] SelectionFileOptionTest.HandlesSingleSelectionOptionFromFile
@@ -160331,12 +160551,12 @@
 65: [       OK ] SelectionFileOptionTest.GivesErrorWithNonExistentFile (0 ms)
 65: [ RUN      ] SelectionFileOptionTest.GivesErrorWithMultipleFiles
 65: [       OK ] SelectionFileOptionTest.GivesErrorWithMultipleFiles (0 ms)
-65: [----------] 9 tests from SelectionFileOptionTest (2 ms total)
+65: [----------] 9 tests from SelectionFileOptionTest (1 ms total)
 65: 
 65: [----------] Global test environment tear-down
-65: [==========] 201 tests from 11 test suites ran. (289 ms total)
+65: [==========] 201 tests from 11 test suites ran. (130 ms total)
 65: [  PASSED  ] 201 tests.
-65/92 Test #65: SelectionUnitTests ........................   Passed    0.32 sec
+65/92 Test #65: SelectionUnitTests ........................   Passed    0.15 sec
 test 66
       Start 66: MdrunOutputTests
 
@@ -160347,8 +160567,8 @@
 66: [----------] Global test environment set-up.
 66: [----------] 1 test from MdrunTest
 66: [ RUN      ] MdrunTest.WritesHelp
-66: [       OK ] MdrunTest.WritesHelp (13 ms)
-66: [----------] 1 test from MdrunTest (13 ms total)
+66: [       OK ] MdrunTest.WritesHelp (15 ms)
+66: [----------] 1 test from MdrunTest (15 ms total)
 66: 
 66: [----------] 3 tests from WithDifferentOutputGroupSettings/MdrunCompressedXOutput
 66: [ RUN      ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/0
@@ -160380,7 +160600,7 @@
 66:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 66: starting mdrun 'spc2'
 66: 1 steps,      0.0 ps.
-66: Setting the LD random seed to -147423618
+66: Setting the LD random seed to -381751940
 66: 
 66: Generated 3 of the 3 non-bonded parameter combinations
 66: 
@@ -160403,9 +160623,9 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.015        0.008      198.4
+66:        Time:        0.004        0.002      195.1
 66:                  (ns/day)    (hour/ns)
-66: Performance:       22.586        1.063
+66: Performance:       92.293        0.260
 66: 
Reading frame       0 time    0.000   
 66: # Atoms  6
 66: 
Reading frame       1 time    0.001   
Last frame          1 time    0.001   
@@ -160420,7 +160640,7 @@
 66: Forces           0
 66: Box              2    0.001
 66: Checking file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_0.xtc
-66: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/0 (32 ms)
+66: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/0 (9 ms)
 66: [ RUN      ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/1
 66: Generating 1-4 interactions: fudge = 0.5
 66: Number of degrees of freedom in T-Coupling group rest is 9.00
@@ -160450,7 +160670,7 @@
 66:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 66: starting mdrun 'spc2'
 66: 1 steps,      0.0 ps.
-66: Setting the LD random seed to 1875889723
+66: Setting the LD random seed to -272635202
 66: 
 66: Generated 3 of the 3 non-bonded parameter combinations
 66: 
@@ -160473,9 +160693,9 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.011        0.006      198.0
+66:        Time:        0.001        0.001      187.4
 66:                  (ns/day)    (hour/ns)
-66: Performance:       30.375        0.790
+66: Performance:      308.809        0.078
 66: 
Reading frame       0 time    0.000   
 66: # Atoms  6
 66: 
Reading frame       1 time    0.001   
Last frame          1 time    0.001   
@@ -160490,7 +160710,7 @@
 66: Forces           0
 66: Box              2    0.001
 66: Checking file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_1.xtc
-66: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/1 (15 ms)
+66: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/1 (6 ms)
 66: [ RUN      ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/2
 66: Generating 1-4 interactions: fudge = 0.5
 66: Number of degrees of freedom in T-Coupling group rest is 9.00
@@ -160520,7 +160740,7 @@
 66:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 66: starting mdrun 'spc2'
 66: 1 steps,      0.0 ps.
-66: Setting the LD random seed to -1226150309
+66: Setting the LD random seed to 1022293921
 66: 
 66: Generated 3 of the 3 non-bonded parameter combinations
 66: 
@@ -160543,9 +160763,9 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.001        0.000      187.6
+66:        Time:        0.001        0.001      190.1
 66:                  (ns/day)    (hour/ns)
-66: Performance:      368.843        0.065
+66: Performance:      226.069        0.106
 66: 
Reading frame       0 time    0.000   
 66: # Atoms  3
 66: 
Reading frame       1 time    0.001   
Last frame          1 time    0.001   
@@ -160560,8 +160780,8 @@
 66: Forces           0
 66: Box              2    0.001
 66: Checking file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_2.xtc
-66: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/2 (9 ms)
-66: [----------] 3 tests from WithDifferentOutputGroupSettings/MdrunCompressedXOutput (58 ms total)
+66: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/2 (6 ms)
+66: [----------] 3 tests from WithDifferentOutputGroupSettings/MdrunCompressedXOutput (21 ms total)
 66: 
 66: [----------] 2 tests from Argon12/OutputFiles
 66: [ RUN      ] Argon12/OutputFiles.FilesArePresent/0
@@ -160614,10 +160834,10 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.005        0.003      197.0
+66:        Time:        0.002        0.001      192.1
 66:                  (ns/day)    (hour/ns)
-66: Performance:      537.105        0.045
-66: [       OK ] Argon12/OutputFiles.FilesArePresent/0 (18 ms)
+66: Performance:     1727.592        0.014
+66: [       OK ] Argon12/OutputFiles.FilesArePresent/0 (5 ms)
 66: [ RUN      ] Argon12/OutputFiles.FilesArePresent/1
 66: 
 66: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_1_input.mdp]:
@@ -160668,11 +160888,11 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.006        0.003      198.0
+66:        Time:        0.002        0.001      196.2
 66:                  (ns/day)    (hour/ns)
-66: Performance:      478.790        0.050
-66: [       OK ] Argon12/OutputFiles.FilesArePresent/1 (17 ms)
-66: [----------] 2 tests from Argon12/OutputFiles (36 ms total)
+66: Performance:     1237.813        0.019
+66: [       OK ] Argon12/OutputFiles.FilesArePresent/1 (6 ms)
+66: [----------] 2 tests from Argon12/OutputFiles (12 ms total)
 66: 
 66: [----------] 3 tests from MdrunCanWrite/Trajectories
 66: [ RUN      ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/0
@@ -160698,7 +160918,7 @@
 66:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 66: starting mdrun 'spc-and-methanol'
 66: 6 steps,      0.0 ps.
-66: Setting the LD random seed to 529518585
+66: Setting the LD random seed to -1075850049
 66: 
 66: Generated 8 of the 10 non-bonded parameter combinations
 66: 
@@ -160721,10 +160941,10 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.222        0.111      199.9
+66:        Time:        0.006        0.003      197.4
 66:                  (ns/day)    (hour/ns)
-66: Performance:        5.437        4.415
-66: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/0 (128 ms)
+66: Performance:      197.779        0.121
+66: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/0 (8 ms)
 66: [ RUN      ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/1
 66: Number of degrees of freedom in T-Coupling group System is 12.00
 66: 
@@ -160748,7 +160968,7 @@
 66:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 66: starting mdrun 'spc-and-methanol'
 66: 6 steps,      0.0 ps.
-66: Setting the LD random seed to 1400766463
+66: Setting the LD random seed to 1861107706
 66: 
 66: Generated 8 of the 10 non-bonded parameter combinations
 66: 
@@ -160771,10 +160991,10 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.004        0.002      195.9
+66:        Time:        0.004        0.002      196.5
 66:                  (ns/day)    (hour/ns)
-66: Performance:      271.597        0.088
-66: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/1 (29 ms)
+66: Performance:      267.051        0.090
+66: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/1 (7 ms)
 66: [ RUN      ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/2
 66: Number of degrees of freedom in T-Coupling group System is 12.00
 66: 
@@ -160798,7 +161018,7 @@
 66:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 66: starting mdrun 'spc-and-methanol'
 66: 6 steps,      0.0 ps.
-66: Setting the LD random seed to 1589591245
+66: Setting the LD random seed to -538978341
 66: 
 66: Generated 8 of the 10 non-bonded parameter combinations
 66: 
@@ -160821,11 +161041,11 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.031        0.016      199.3
+66:        Time:        0.004        0.002      190.4
 66:                  (ns/day)    (hour/ns)
-66: Performance:       38.568        0.622
-66: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/2 (50 ms)
-66: [----------] 3 tests from MdrunCanWrite/Trajectories (210 ms total)
+66: Performance:      280.734        0.085
+66: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/2 (7 ms)
+66: [----------] 3 tests from MdrunCanWrite/Trajectories (23 ms total)
 66: 
 66: [----------] 3 tests from MdrunCanWrite/NptTrajectories
 66: [ RUN      ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/0
@@ -160851,7 +161071,7 @@
 66:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 66: starting mdrun 'spc-and-methanol'
 66: 2 steps,      0.0 ps.
-66: Setting the LD random seed to 2146660218
+66: Setting the LD random seed to -68440785
 66: 
 66: Generated 8 of the 10 non-bonded parameter combinations
 66: 
@@ -160874,10 +161094,10 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.023        0.012      199.2
+66:        Time:        0.003        0.001      194.1
 66:                  (ns/day)    (hour/ns)
-66: Performance:       22.077        1.087
-66: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/0 (24 ms)
+66: Performance:      175.888        0.136
+66: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/0 (8 ms)
 66: [ RUN      ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/1
 66: 
 66: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_NptTrajectories_WithDifferentPcoupl_1_input.mdp]:
@@ -160909,7 +161129,7 @@
 66:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 66: starting mdrun 'spc-and-methanol'
 66: 2 steps,      0.0 ps.
-66: Setting the LD random seed to -125837825
+66: Setting the LD random seed to -1101797953
 66: 
 66: Generated 8 of the 10 non-bonded parameter combinations
 66: 
@@ -160932,10 +161152,10 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.029        0.015      199.3
+66:        Time:        0.002        0.001      190.6
 66:                  (ns/day)    (hour/ns)
-66: Performance:       17.707        1.355
-66: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/1 (27 ms)
+66: Performance:      293.115        0.082
+66: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/1 (7 ms)
 66: [ RUN      ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/2
 66: Number of degrees of freedom in T-Coupling group System is 12.00
 66: 
@@ -160959,7 +161179,7 @@
 66:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 66: starting mdrun 'spc-and-methanol'
 66: 2 steps,      0.0 ps.
-66: Setting the LD random seed to 2068836015
+66: Setting the LD random seed to 1946020183
 66: 
 66: Generated 8 of the 10 non-bonded parameter combinations
 66: 
@@ -160982,16 +161202,16 @@
 66: Writing final coordinates.
 66: 
 66:                Core t (s)   Wall t (s)        (%)
-66:        Time:        0.001        0.001      190.7
+66:        Time:        0.003        0.001      193.8
 66:                  (ns/day)    (hour/ns)
-66: Performance:      347.337        0.069
-66: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/2 (14 ms)
-66: [----------] 3 tests from MdrunCanWrite/NptTrajectories (75 ms total)
+66: Performance:      195.956        0.122
+66: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/2 (7 ms)
+66: [----------] 3 tests from MdrunCanWrite/NptTrajectories (23 ms total)
 66: 
 66: [----------] Global test environment tear-down
-66: [==========] 12 tests from 5 test suites ran. (454 ms total)
+66: [==========] 12 tests from 5 test suites ran. (133 ms total)
 66: [  PASSED  ] 12 tests.
-66/92 Test #66: MdrunOutputTests ..........................   Passed    0.48 sec
+66/92 Test #66: MdrunOutputTests ..........................   Passed    0.16 sec
 test 67
       Start 67: MdrunModulesTests
 
@@ -161028,14 +161248,14 @@
 67: Maximum force     =  4.50998690851897e+03 on atom 3
 67: Norm of force     =  1.68168494163492e+03
 67: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectInnerProduct.edr as double precision energy file
-67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to -178266435
+67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to -96473741
 67: 
 67: Generated 1 of the 1 non-bonded parameter combinations
 67: 
 67: Excluding 1 bonded neighbours molecule type 'Argon'
 67: 
 67: This run will generate roughly 0 Mb of data
-67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProduct (21 ms)
+67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProduct (9 ms)
 67: [ RUN      ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductTranslation
 67: Number of degrees of freedom in T-Coupling group rest is 33.00
 67: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
@@ -161063,18 +161283,18 @@
 67: Maximum force     =  7.39548334240075e+03 on atom 2
 67: Norm of force     =  2.78250777177324e+03
 67: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectInnerProductTranslation.edr as double precision energy file
-67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to -1111640197
+67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to -2120585
 67: 
 67: Generated 1 of the 1 non-bonded parameter combinations
 67: 
 67: Excluding 1 bonded neighbours molecule type 'Argon'
 67: 
 67: This run will generate roughly 0 Mb of data
-67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductTranslation (30 ms)
+67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductTranslation (6 ms)
 67: [ RUN      ] DensityFittingTest.EnergyMinimizationEnergyTranslationParametersOff
 67: 
 67: [WARNING] ./src/external/googletest/googletest/src/gtest-death-test.cc:1108:: Death tests use fork(), which is unsafe particularly in a threaded context. For this test, Google Test detected 2 threads. See https://github.com/google/googletest/blob/main/docs/advanced.md#death-tests-and-threads for more explanation and suggested solutions, especially if this is the last message you see before your test times out.
-67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyTranslationParametersOff (7 ms)
+67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyTranslationParametersOff (10 ms)
 67: [ RUN      ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductTranslationAndTransformationMatrix
 67: Number of degrees of freedom in T-Coupling group rest is 33.00
 67: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
@@ -161104,18 +161324,18 @@
 67: Maximum force     =  6.13219949575544e+03 on atom 2
 67: Norm of force     =  1.77021426574818e+03
 67: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectInnerProductTranslationAndTransformationMatrix.edr as double precision energy file
-67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         Setting the LD random seed to -939540677
+67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         Setting the LD random seed to -1075067009
 67: 
 67: Generated 1 of the 1 non-bonded parameter combinations
 67: 
 67: Excluding 1 bonded neighbours molecule type 'Argon'
 67: 
 67: This run will generate roughly 0 Mb of data
-67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductTranslationAndTransformationMatrix (20 ms)
+67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductTranslationAndTransformationMatrix (8 ms)
 67: [ RUN      ] DensityFittingTest.EnergyMinimizationEnergyMatrixTransfromationOff
 67: 
 67: [WARNING] ./src/external/googletest/googletest/src/gtest-death-test.cc:1108:: Death tests use fork(), which is unsafe particularly in a threaded context. For this test, Google Test detected 2 threads. See https://github.com/google/googletest/blob/main/docs/advanced.md#death-tests-and-threads for more explanation and suggested solutions, especially if this is the last message you see before your test times out.
-67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyMatrixTransfromationOff (10 ms)
+67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyMatrixTransfromationOff (9 ms)
 67: [ RUN      ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductIdentityMatrix
 67: Number of degrees of freedom in T-Coupling group rest is 33.00
 67: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
@@ -161143,14 +161363,14 @@
 67: Maximum force     =  4.50998690851897e+03 on atom 3
 67: Norm of force     =  1.68168494163492e+03
 67: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectInnerProductIdentityMatrix.edr as double precision energy file
-67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to -604541989
+67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to 2147479155
 67: 
 67: Generated 1 of the 1 non-bonded parameter combinations
 67: 
 67: Excluding 1 bonded neighbours molecule type 'Argon'
 67: 
 67: This run will generate roughly 0 Mb of data
-67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductIdentityMatrix (10 ms)
+67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductIdentityMatrix (8 ms)
 67: [ RUN      ] DensityFittingTest.EnergyMinimizationEnergyCorrectForRelativeEntropy
 67: Number of degrees of freedom in T-Coupling group rest is 33.00
 67: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
@@ -161178,25 +161398,25 @@
 67: Maximum force     =  6.78276506555709e+03 on atom 2
 67: Norm of force     =  1.96088641457984e+03
 67: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectForRelativeEntropy.edr as double precision energy file
-67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to -285254023
+67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to 2126307259
 67: 
 67: Generated 1 of the 1 non-bonded parameter combinations
 67: 
 67: Excluding 1 bonded neighbours molecule type 'Argon'
 67: 
 67: This run will generate roughly 0 Mb of data
-67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectForRelativeEntropy (5 ms)
+67: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectForRelativeEntropy (9 ms)
 67: [ RUN      ] DensityFittingTest.GromppErrorWhenEnergyEvaluationFrequencyMismatch
 67: 
 67: [WARNING] ./src/external/googletest/googletest/src/gtest-death-test.cc:1108:: Death tests use fork(), which is unsafe particularly in a threaded context. For this test, Google Test detected 2 threads. See https://github.com/google/googletest/blob/main/docs/advanced.md#death-tests-and-threads for more explanation and suggested solutions, especially if this is the last message you see before your test times out.
-67: Setting the LD random seed to -34604587
+67: Setting the LD random seed to -167806057
 67: 
 67: Generated 1 of the 1 non-bonded parameter combinations
 67: 
 67: Excluding 1 bonded neighbours molecule type 'Argon'
 67: 
 67: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-67: [       OK ] DensityFittingTest.GromppErrorWhenEnergyEvaluationFrequencyMismatch (16 ms)
+67: [       OK ] DensityFittingTest.GromppErrorWhenEnergyEvaluationFrequencyMismatch (10 ms)
 67: [ RUN      ] DensityFittingTest.CheckpointWorks
 67: 
 67: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks_input.mdp]:
@@ -161223,7 +161443,7 @@
 67:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 67: starting mdrun 'Argon'
 67: 2 steps,      0.0 ps.
-67: Setting the LD random seed to -25888777
+67: Setting the LD random seed to -1140869651
 67: 
 67: Generated 1 of the 1 non-bonded parameter combinations
 67: 
@@ -161244,9 +161464,9 @@
 67: Writing final coordinates.
 67: 
 67:                Core t (s)   Wall t (s)        (%)
-67:        Time:        0.003        0.001      195.6
+67:        Time:        0.004        0.002      195.1
 67:                  (ns/day)    (hour/ns)
-67: Performance:      182.717        0.131
+67: Performance:      126.370        0.190
 67: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 67: Overriding nsteps with value passed on the command line: 4 steps, 0.004 ps
 67: Can not increase nstlist because an NVE ensemble is used
@@ -161265,12 +161485,12 @@
 67: Writing final coordinates.
 67: 
 67:                Core t (s)   Wall t (s)        (%)
-67:        Time:        0.017        0.008      198.7
+67:        Time:        0.002        0.001      189.1
 67:                  (ns/day)    (hour/ns)
-67: Performance:       51.033        0.470
+67: Performance:      526.573        0.046
 67: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks.edr as double precision energy file
-67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.002         
Last energy frame read 1 time    0.002         [       OK ] DensityFittingTest.CheckpointWorks (24 ms)
-67: [----------] 9 tests from DensityFittingTest (157 ms total)
+67: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.002         
Last energy frame read 1 time    0.002         [       OK ] DensityFittingTest.CheckpointWorks (12 ms)
+67: [----------] 9 tests from DensityFittingTest (84 ms total)
 67: 
 67: [----------] 4 tests from MimicTest
 67: [ RUN      ] MimicTest.OneQuantumMol
@@ -161310,15 +161530,15 @@
 67: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 67: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 67: 
-67: NOTE: 25 % of the run time was spent in pair search,
+67: NOTE: 20 % of the run time was spent in pair search,
 67:       you might want to increase nstlist (this has no effect on accuracy)
 67: 
 67:                Core t (s)   Wall t (s)        (%)
-67:        Time:        0.017        0.009      199.3
+67:        Time:        0.000        0.000      185.2
 67:                  (ns/day)    (hour/ns)
-67: Performance:       10.046        2.389
+67: Performance:      393.900        0.061
 67: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol.edr as double precision energy file
-67: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to 1874844543
+67: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -136388625
 67: 
 67: Generated 10 of the 10 non-bonded parameter combinations
 67: 
@@ -161329,7 +161549,7 @@
 67: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/4water.gro', all velocities are zero
 67: 
 67: This run will generate roughly 0 Mb of data
-67: [       OK ] MimicTest.OneQuantumMol (31 ms)
+67: [       OK ] MimicTest.OneQuantumMol (6 ms)
 67: [ RUN      ] MimicTest.AllQuantumMol
 67: 
 67: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol_input.mdp]:
@@ -161367,15 +161587,15 @@
 67: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 67: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 67: 
-67: NOTE: 52 % of the run time was spent in pair search,
+67: NOTE: 17 % of the run time was spent in pair search,
 67:       you might want to increase nstlist (this has no effect on accuracy)
 67: 
 67:                Core t (s)   Wall t (s)        (%)
-67:        Time:        0.010        0.005      195.3
+67:        Time:        0.001        0.000      187.0
 67:                  (ns/day)    (hour/ns)
-67: Performance:       17.519        1.370
+67: Performance:      297.039        0.081
 67: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol.edr as double precision energy file
-67: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to 1996472183
+67: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -5529729
 67: 
 67: Generated 10 of the 10 non-bonded parameter combinations
 67: 
@@ -161386,7 +161606,7 @@
 67: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/4water.gro', all velocities are zero
 67: 
 67: This run will generate roughly 0 Mb of data
-67: [       OK ] MimicTest.AllQuantumMol (17 ms)
+67: [       OK ] MimicTest.AllQuantumMol (5 ms)
 67: [ RUN      ] MimicTest.TwoQuantumMol
 67: 
 67: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]:
@@ -161424,15 +161644,15 @@
 67: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 67: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 67: 
-67: NOTE: 53 % of the run time was spent in pair search,
+67: NOTE: 20 % of the run time was spent in pair search,
 67:       you might want to increase nstlist (this has no effect on accuracy)
 67: 
 67:                Core t (s)   Wall t (s)        (%)
-67:        Time:        0.008        0.004      188.1
+67:        Time:        0.000        0.000      186.0
 67:                  (ns/day)    (hour/ns)
-67: Performance:       20.421        1.175
+67: Performance:      378.275        0.063
 67: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol.edr as double precision energy file
-67: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -542212357
+67: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -2049475649
 67: 
 67: Generated 10 of the 10 non-bonded parameter combinations
 67: 
@@ -161443,7 +161663,7 @@
 67: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/4water.gro', all velocities are zero
 67: 
 67: This run will generate roughly 0 Mb of data
-67: [       OK ] MimicTest.TwoQuantumMol (15 ms)
+67: [       OK ] MimicTest.TwoQuantumMol (6 ms)
 67: [ RUN      ] MimicTest.BondCuts
 67: 
 67: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]:
@@ -161481,15 +161701,15 @@
 67: Reading frames from gro file 'Alanine dipeptide in water', 23 atoms.
 67: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 67: 
-67: NOTE: 63 % of the run time was spent in pair search,
+67: NOTE: 15 % of the run time was spent in pair search,
 67:       you might want to increase nstlist (this has no effect on accuracy)
 67: 
 67:                Core t (s)   Wall t (s)        (%)
-67:        Time:        0.021        0.011      197.9
+67:        Time:        0.001        0.000      189.6
 67:                  (ns/day)    (hour/ns)
-67: Performance:        8.188        2.931
+67: Performance:      237.943        0.101
 67: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts.edr as double precision energy file
-67: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -27867657
+67: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -35391588
 67: 
 67: Generated 2211 of the 2211 non-bonded parameter combinations
 67: 
@@ -161508,8 +161728,8 @@
 67: Note that mdrun will redetermine rlist based on the actual pair-list setup
 67: 
 67: This run will generate roughly 0 Mb of data
-67: [       OK ] MimicTest.BondCuts (38 ms)
-67: [----------] 4 tests from MimicTest (103 ms total)
+67: [       OK ] MimicTest.BondCuts (14 ms)
+67: [----------] 4 tests from MimicTest (32 ms total)
 67: 
 67: [----------] 2 tests from WithIntegrator/ImdTest
 67: [ RUN      ] WithIntegrator/ImdTest.ImdCanRun/0
@@ -161547,11 +161767,11 @@
 67: IMD: Pulling from IMD remote is enabled (-imdpull).
 67: IMD: Setting port for connection requests to 0.
 67: IMD: Setting up incoming socket.
-67: IMD: Listening for IMD connection on port 44165.
+67: IMD: Listening for IMD connection on port 42957.
 67: IMD: -imdwait not set, starting simulation.
 67: starting mdrun 'Glycine'
 67: 2 steps,      0.0 ps.
-67: Setting the LD random seed to -1149248553
+67: Setting the LD random seed to 2131753959
 67: 
 67: Generated 20503 of the 20503 non-bonded parameter combinations
 67: 
@@ -161574,10 +161794,10 @@
 67: Writing final coordinates.
 67: 
 67:                Core t (s)   Wall t (s)        (%)
-67:        Time:        0.001        0.001      187.5
+67:        Time:        0.001        0.001      188.7
 67:                  (ns/day)    (hour/ns)
-67: Performance:      856.371        0.028
-67: [       OK ] WithIntegrator/ImdTest.ImdCanRun/0 (144 ms)
+67: Performance:      906.347        0.026
+67: [       OK ] WithIntegrator/ImdTest.ImdCanRun/0 (61 ms)
 67: [ RUN      ] WithIntegrator/ImdTest.ImdCanRun/1
 67: 
 67: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithIntegrator_ImdTest_ImdCanRun_1_input.mdp]:
@@ -161610,7 +161830,7 @@
 67: IMD: Pulling from IMD remote is enabled (-imdpull).
 67: IMD: Setting port for connection requests to 0.
 67: IMD: Setting up incoming socket.
-67: IMD: Listening for IMD connection on port 52115.
+67: IMD: Listening for IMD connection on port 46809.
 67: IMD: -imdwait not set, starting simulation.
 67: 
 67: Steepest Descents:
@@ -161626,7 +161846,7 @@
 67: Potential Energy  =  1.19770464690297e+03
 67: Maximum force     =  1.77948604657896e+04 on atom 9
 67: Norm of force     =  7.87328617833980e+03
-67: Setting the LD random seed to -537145483
+67: Setting the LD random seed to -696479795
 67: 
 67: Generated 20503 of the 20503 non-bonded parameter combinations
 67: 
@@ -161635,13 +161855,13 @@
 67: Excluding 3 bonded neighbours molecule type 'Glycine'
 67: 
 67: This run will generate roughly 0 Mb of data
-67: [       OK ] WithIntegrator/ImdTest.ImdCanRun/1 (133 ms)
-67: [----------] 2 tests from WithIntegrator/ImdTest (279 ms total)
+67: [       OK ] WithIntegrator/ImdTest.ImdCanRun/1 (62 ms)
+67: [----------] 2 tests from WithIntegrator/ImdTest (123 ms total)
 67: 
 67: [----------] Global test environment tear-down
-67: [==========] 15 tests from 3 test suites ran. (580 ms total)
+67: [==========] 15 tests from 3 test suites ran. (273 ms total)
 67: [  PASSED  ] 15 tests.
-67/92 Test #67: MdrunModulesTests .........................   Passed    0.61 sec
+67/92 Test #67: MdrunModulesTests .........................   Passed    0.30 sec
 test 68
       Start 68: MdrunIOTests
 
@@ -161672,7 +161892,7 @@
 68: 
 68: 
 68: There were 3 NOTEs
-68: Setting the LD random seed to -1627917433
+68: Setting the LD random seed to 2071198559
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -161691,7 +161911,7 @@
 68: Note that mdrun will redetermine rlist based on the actual pair-list setup
 68: 
 68: This run will generate roughly 0 Mb of data
-68: [       OK ] GromppTest.EmptyMdpFileWorks (2 ms)
+68: [       OK ] GromppTest.EmptyMdpFileWorks (5 ms)
 68: [ RUN      ] GromppTest.SimulatedAnnealingWorks
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/GromppTest_SimulatedAnnealingWorks_input.mdp]:
@@ -161719,7 +161939,7 @@
 68: 
 68: 
 68: There were 3 NOTEs
-68: Setting the LD random seed to -1342308946
+68: Setting the LD random seed to 921632711
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -161738,7 +161958,7 @@
 68: Note that mdrun will redetermine rlist based on the actual pair-list setup
 68: 
 68: This run will generate roughly 0 Mb of data
-68: [       OK ] GromppTest.SimulatedAnnealingWorks (9 ms)
+68: [       OK ] GromppTest.SimulatedAnnealingWorks (4 ms)
 68: [ RUN      ] GromppTest.SimulatedAnnealingWorksWithMultipleGroups
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/GromppTest_SimulatedAnnealingWorksWithMultipleGroups_input.mdp]:
@@ -161772,7 +161992,7 @@
 68: 
 68: 
 68: There were 3 NOTEs
-68: Setting the LD random seed to -1615889569
+68: Setting the LD random seed to -1653821477
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -161791,9 +162011,9 @@
 68: Note that mdrun will redetermine rlist based on the actual pair-list setup
 68: 
 68: This run will generate roughly 0 Mb of data
-68: [       OK ] GromppTest.SimulatedAnnealingWorksWithMultipleGroups (2 ms)
+68: [       OK ] GromppTest.SimulatedAnnealingWorksWithMultipleGroups (3 ms)
 68: [ RUN      ] GromppTest.DeathTestHandlesNoMaxwarnError
-68: Setting the LD random seed to -218628293
+68: Setting the LD random seed to -58726917
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -161812,7 +162032,7 @@
 68: Note that mdrun will redetermine rlist based on the actual pair-list setup
 68: 
 68: This run will generate roughly 0 Mb of data
-68: [       OK ] GromppTest.DeathTestHandlesNoMaxwarnError (9 ms)
+68: [       OK ] GromppTest.DeathTestHandlesNoMaxwarnError (10 ms)
 68: [ RUN      ] GromppTest.HandlesMaxwarn
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/GromppTest_HandlesMaxwarn_input.mdp]:
@@ -161836,7 +162056,7 @@
 68: There were 2 NOTEs
 68: 
 68: There was 1 WARNING
-68: Setting the LD random seed to -10820
+68: Setting the LD random seed to -537399339
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -161855,9 +162075,9 @@
 68: Note that mdrun will redetermine rlist based on the actual pair-list setup
 68: 
 68: This run will generate roughly 0 Mb of data
-68: [       OK ] GromppTest.HandlesMaxwarn (2 ms)
+68: [       OK ] GromppTest.HandlesMaxwarn (6 ms)
 68: [ RUN      ] GromppTest.MaxwarnShouldBePositive
-68: [       OK ] GromppTest.MaxwarnShouldBePositive (0 ms)
+68: [       OK ] GromppTest.MaxwarnShouldBePositive (1 ms)
 68: [ RUN      ] GromppTest.ValidTransformationCoord
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/GromppTest_ValidTransformationCoord_input.mdp]:
@@ -161886,7 +162106,7 @@
 68:        2         3         2       0.613 nm          0.000 nm
 68: 
 68: There were 3 NOTEs
-68: Setting the LD random seed to -272631809
+68: Setting the LD random seed to -269288009
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -161905,7 +162125,7 @@
 68: Note that mdrun will redetermine rlist based on the actual pair-list setup
 68: 
 68: This run will generate roughly 0 Mb of data
-68: [       OK ] GromppTest.ValidTransformationCoord (10 ms)
+68: [       OK ] GromppTest.ValidTransformationCoord (7 ms)
 68: [ RUN      ] GromppTest.InvalidTransformationCoord
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/GromppTest_InvalidTransformationCoord_input.mdp]:
@@ -161931,7 +162151,7 @@
 68:        1         3         5
 68:        2         3         2       0.613 nm          0.000 nm
 68:        1         3         5
-68:        2         3         2 Setting the LD random seed to -5242881
+68:        2         3         2 Setting the LD random seed to -143917093
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -161948,9 +162168,9 @@
 68: Set rlist, assuming 4x4 atom pair-list, to 1.072 nm, buffer size 0.072 nm
 68: 
 68: Note that mdrun will redetermine rlist based on the actual pair-list setup
-68: [       OK ] GromppTest.InvalidTransformationCoord (7 ms)
+68: [       OK ] GromppTest.InvalidTransformationCoord (6 ms)
 68: [ RUN      ] GromppTest.RejectCRescaleAndAnisotropic
-68: Setting the LD random seed to -239687561
+68: Setting the LD random seed to -742096425
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -161959,8 +162179,8 @@
 68: Excluding 2 bonded neighbours molecule type 'SOL'
 68: 
 68: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/spc-and-methanol.gro'
-68: [       OK ] GromppTest.RejectCRescaleAndAnisotropic (12 ms)
-68: [----------] 9 tests from GromppTest (63 ms total)
+68: [       OK ] GromppTest.RejectCRescaleAndAnisotropic (9 ms)
+68: [----------] 9 tests from GromppTest (55 ms total)
 68: 
 68: [----------] 6 tests from MdrunTerminationTest
 68: [ RUN      ] MdrunTerminationTest.CheckpointRestartAppendsByDefault
@@ -161987,7 +162207,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc2'
 68: 2 steps,      0.0 ps.
-68: Setting the LD random seed to 1742711796
+68: Setting the LD random seed to -528673
 68: 
 68: Generated 3 of the 3 non-bonded parameter combinations
 68: 
@@ -162010,9 +162230,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.004        0.002      196.8
+68:        Time:        0.005        0.003      195.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      114.126        0.210
+68: Performance:      100.505        0.239
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartAppendsByDefault.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Setting nsteps to 4
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartAppendsByDefault.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
@@ -162049,10 +162269,10 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.011        0.006      198.6
+68:        Time:        0.002        0.001      192.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:       45.049        0.533
-68: [       OK ] MdrunTerminationTest.CheckpointRestartAppendsByDefault (30 ms)
+68: Performance:      226.304        0.106
+68: [       OK ] MdrunTerminationTest.CheckpointRestartAppendsByDefault (15 ms)
 68: [ RUN      ] MdrunTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts
 68: Generating 1-4 interactions: fudge = 0.5
 68: Number of degrees of freedom in T-Coupling group System is 9.00
@@ -162078,8 +162298,8 @@
 68: starting mdrun 'spc2'
 68: 100 steps,      0.1 ps.
 68: 
-68: Step 12: Run time exceeded 0.000 hours, will terminate the run within 200 steps
-68: Setting the LD random seed to 754612223
+68: Step 8: Run time exceeded 0.000 hours, will terminate the run within 200 steps
+68: Setting the LD random seed to 1603616543
 68: 
 68: Generated 3 of the 3 non-bonded parameter combinations
 68: 
@@ -162101,10 +162321,13 @@
 68: 
 68: Writing final coordinates.
 68: 
+68: NOTE: 45 % of the run time was spent in pair search,
+68:       you might want to increase nstlist (this has no effect on accuracy)
+68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.024        0.012      199.1
+68:        Time:        0.007        0.004      197.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      714.992        0.034
+68: Performance:     2358.931        0.010
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Setting nsteps to 102
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
@@ -162141,10 +162364,10 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      189.0
+68:        Time:        0.001        0.001      188.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:      499.157        0.048
-68: [       OK ] MdrunTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts (30 ms)
+68: Performance:      384.564        0.062
+68: [       OK ] MdrunTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts (13 ms)
 68: [ RUN      ] MdrunTerminationTest.CheckpointRestartWithNoAppendWorksAndCannotLaterAppend
 68: Generating 1-4 interactions: fudge = 0.5
 68: Number of degrees of freedom in T-Coupling group System is 9.00
@@ -162169,7 +162392,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc2'
 68: 2 steps,      0.0 ps.
-68: Setting the LD random seed to -1477488665
+68: Setting the LD random seed to 517992761
 68: 
 68: Generated 3 of the 3 non-bonded parameter combinations
 68: 
@@ -162191,13 +162414,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 22 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.046        0.023      199.5
+68:        Time:        0.001        0.001      187.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:       11.222        2.139
+68: Performance:      447.208        0.054
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Setting nsteps to 4
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
@@ -162234,9 +162454,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      194.8
+68:        Time:        0.001        0.001      193.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:      322.696        0.074
+68: Performance:      389.525        0.062
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Setting nsteps to 6
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
@@ -162272,13 +162492,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 22 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.027        0.013      199.5
+68:        Time:        0.002        0.001      195.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:       19.331        1.242
+68: Performance:      268.834        0.089
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Setting nsteps to 8
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
@@ -162314,13 +162531,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 22 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.027        0.013      199.6
+68:        Time:        0.001        0.001      192.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:       19.443        1.234
+68: Performance:      462.033        0.052
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 10 to 40, rlist from 1.035 to 1.179
 68: 
@@ -162335,14 +162549,14 @@
 68: starting mdrun 'spc2'
 68: 8 steps,      0.0 ps (continuing from step 8,      0.0 ps).
 68: 
-68: NOTE: 42 % of the run time was spent in pair search,
+68: NOTE: 26 % of the run time was spent in pair search,
 68:       you might want to increase nstlist (this has no effect on accuracy)
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.014        0.007      199.0
+68:        Time:        0.000        0.000      170.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:       12.603        1.904
-68: [       OK ] MdrunTerminationTest.CheckpointRestartWithNoAppendWorksAndCannotLaterAppend (90 ms)
+68: Performance:      626.969        0.038
+68: [       OK ] MdrunTerminationTest.CheckpointRestartWithNoAppendWorksAndCannotLaterAppend (19 ms)
 68: [ RUN      ] MdrunTerminationTest.CheckpointRestartWorksEvenWithMissingCheckpointFile
 68: Generating 1-4 interactions: fudge = 0.5
 68: Number of degrees of freedom in T-Coupling group System is 9.00
@@ -162367,7 +162581,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc2'
 68: 2 steps,      0.0 ps.
-68: Setting the LD random seed to -69341217
+68: Setting the LD random seed to -1164064900
 68: 
 68: Generated 3 of the 3 non-bonded parameter combinations
 68: 
@@ -162389,13 +162603,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 19 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.030        0.015      199.5
+68:        Time:        0.001        0.001      187.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:       17.298        1.387
+68: Performance:      513.540        0.047
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithMissingCheckpointFile.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Setting nsteps to 4
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithMissingCheckpointFile.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
@@ -162431,14 +162642,11 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 13 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.041        0.021      199.6
+68:        Time:        0.001        0.001      188.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:       20.821        1.153
-68: [       OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithMissingCheckpointFile (50 ms)
+68: Performance:      811.437        0.030
+68: [       OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithMissingCheckpointFile (8 ms)
 68: [ RUN      ] MdrunTerminationTest.CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile
 68: Generating 1-4 interactions: fudge = 0.5
 68: Number of degrees of freedom in T-Coupling group System is 9.00
@@ -162463,7 +162671,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc2'
 68: 2 steps,      0.0 ps.
-68: Setting the LD random seed to -151064705
+68: Setting the LD random seed to -17314026
 68: 
 68: Generated 3 of the 3 non-bonded parameter combinations
 68: 
@@ -162485,13 +162693,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 19 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.030        0.015      199.5
+68:        Time:        0.001        0.000      187.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:       17.150        1.399
+68: Performance:      535.549        0.045
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Setting nsteps to 4
 68: Input file:
@@ -162511,7 +162716,7 @@
 68:   Run end step                                       4     
 68:   Run end time                                   0.004 ps  
 68: 
-68: [       OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile (24 ms)
+68: [       OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile (5 ms)
 68: [ RUN      ] MdrunTerminationTest.RunWithNoAppendCreatesPartFiles
 68: Generating 1-4 interactions: fudge = 0.5
 68: Number of degrees of freedom in T-Coupling group System is 9.00
@@ -162536,7 +162741,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc2'
 68: 2 steps,      0.0 ps.
-68: Setting the LD random seed to -1681424402
+68: Setting the LD random seed to -201458505
 68: 
 68: Generated 3 of the 3 non-bonded parameter combinations
 68: 
@@ -162558,13 +162763,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 18 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.030        0.015      199.5
+68:        Time:        0.001        0.001      189.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:       17.316        1.386
+68: Performance:      486.427        0.049
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_RunWithNoAppendCreatesPartFiles.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Setting nsteps to 4
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_RunWithNoAppendCreatesPartFiles.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
@@ -162600,15 +162802,12 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 21 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.027        0.013      199.6
+68:        Time:        0.001        0.000      192.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:       19.276        1.245
-68: [       OK ] MdrunTerminationTest.RunWithNoAppendCreatesPartFiles (40 ms)
-68: [----------] 6 tests from MdrunTerminationTest (275 ms total)
+68: Performance:      554.958        0.043
+68: [       OK ] MdrunTerminationTest.RunWithNoAppendCreatesPartFiles (7 ms)
+68: [----------] 6 tests from MdrunTerminationTest (69 ms total)
 68: 
 68: [----------] 2 tests from CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks
 68: [ RUN      ] CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks.WithinTolerances/0
@@ -162670,17 +162869,14 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 13 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.136        0.068      199.9
+68:        Time:        0.001        0.001      192.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:       21.653        1.108
+68: Performance:     1905.535        0.013
 68: trr version: GMX_trn_file (double precision)
 68: 
 68: 
-68: [       OK ] CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks.WithinTolerances/0 (77 ms)
+68: [       OK ] CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks.WithinTolerances/0 (4 ms)
 68: [ RUN      ] CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks.WithinTolerances/1
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/CheckpointCoordinatesAreSane_CheckpointCoordinatesSanityChecks_WithinTolerances_1_input.mdp]:
@@ -162741,13 +162937,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.168        0.084      199.9
+68:        Time:        0.002        0.001      195.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:       17.448        1.375
+68: Performance:     1351.304        0.018
 68: 
 68: 
-68: [       OK ] CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks.WithinTolerances/1 (95 ms)
-68: [----------] 2 tests from CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks (172 ms total)
+68: [       OK ] CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks.WithinTolerances/1 (5 ms)
+68: [----------] 2 tests from CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks (10 ms total)
 68: 
 68: [----------] 24 tests from NormalIntegrators/MdrunNoAppendContinuationIsExact
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -162832,13 +163028,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 18 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.186        0.093      199.9
+68:        Time:        0.001        0.001      192.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:       15.809        1.518
+68: Performance:     1961.973        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -162854,13 +163047,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 11 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.103        0.052      199.8
+68:        Time:        0.001        0.001      190.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:       15.046        1.595
+68: Performance:     1324.194        0.018
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -162876,17 +163066,14 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 28 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.109        0.055      199.8
+68:        Time:        0.001        0.001      191.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:       14.248        1.684
+68: Performance:     1329.051        0.018
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (232 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (10 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -162969,13 +163156,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 16 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.184        0.092      199.9
+68:        Time:        0.001        0.001      192.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:       15.967        1.503
+68: Performance:     1966.356        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -162991,13 +163175,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 27 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.108        0.054      199.8
+68:        Time:        0.002        0.001      194.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:       14.434        1.663
+68: Performance:      688.514        0.035
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -163013,17 +163194,14 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 23 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.108        0.054      199.8
+68:        Time:        0.001        0.001      191.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:       14.419        1.664
+68: Performance:     1266.598        0.019
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (223 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (10 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/2
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]:
@@ -163106,13 +163284,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 24 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.213        0.106      199.9
+68:        Time:        0.002        0.001      190.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:       13.801        1.739
+68: Performance:     1533.249        0.016
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -163128,13 +163303,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 11 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.099        0.050      199.9
+68:        Time:        0.001        0.001      195.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:       15.636        1.535
+68: Performance:     1061.338        0.023
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -163150,17 +163322,14 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 14 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.075        0.038      199.7
+68:        Time:        0.002        0.001      191.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:       20.574        1.167
+68: Performance:      718.865        0.033
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (214 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (11 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/3
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]:
@@ -163243,13 +163412,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 12 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.139        0.069      199.9
+68:        Time:        0.002        0.001      196.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:       21.154        1.135
+68: Performance:     1545.170        0.016
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -163265,13 +163431,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 15 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.078        0.039      199.8
+68:        Time:        0.001        0.001      195.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:       19.858        1.209
+68: Performance:     1012.885        0.024
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -163287,17 +163450,14 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 14 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.077        0.038      199.7
+68:        Time:        0.002        0.001      192.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:       20.219        1.187
+68: Performance:      972.128        0.025
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (164 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (11 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/4
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]:
@@ -163365,13 +163525,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 14 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.121        0.061      199.9
+68:        Time:        0.001        0.001      193.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:       24.208        0.991
+68: Performance:     1942.792        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -163386,13 +163543,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 17 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.068        0.034      199.8
+68:        Time:        0.001        0.001      192.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:       22.700        1.057
+68: Performance:     1274.020        0.019
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -163407,17 +163561,14 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 17 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.068        0.034      199.8
+68:        Time:        0.001        0.001      192.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:       22.808        1.052
+68: Performance:     1265.615        0.019
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (147 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (12 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/5
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]:
@@ -163488,9 +163639,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.114        0.057      199.9
+68:        Time:        0.001        0.001      193.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:       25.839        0.929
+68: Performance:     2072.878        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 100, rlist from 0.709 to 0.735
 68: 
@@ -163508,9 +163659,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.065        0.032      199.8
+68:        Time:        0.001        0.001      192.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:       24.053        0.998
+68: Performance:     1360.088        0.018
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 100, rlist from 0.709 to 0.735
 68: 
@@ -163528,13 +163679,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.064        0.032      199.8
+68:        Time:        0.001        0.001      191.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:       24.109        0.995
+68: Performance:     1365.783        0.018
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (140 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (10 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/6
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]:
@@ -163606,13 +163757,13 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 14 % of the run time was spent in pair search,
+68: NOTE: 10 % of the run time was spent in pair search,
 68:       you might want to increase nstlist (this has no effect on accuracy)
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.122        0.061      199.9
+68:        Time:        0.001        0.001      193.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:       24.049        0.998
+68: Performance:     2026.511        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -163627,13 +163778,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 17 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.068        0.034      199.8
+68:        Time:        0.001        0.001      192.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:       22.863        1.050
+68: Performance:     1418.656        0.017
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -163648,17 +163796,17 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 17 % of the run time was spent in pair search,
+68: NOTE: 28 % of the run time was spent in pair search,
 68:       you might want to increase nstlist (this has no effect on accuracy)
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.068        0.034      199.8
+68:        Time:        0.002        0.001      193.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:       22.807        1.052
+68: Performance:      943.992        0.025
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (147 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (10 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/7
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]:
@@ -163733,9 +163881,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.114        0.057      199.9
+68:        Time:        0.001        0.001      193.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:       25.802        0.930
+68: Performance:     2067.313        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 100, rlist from 0.702 to 0.74
 68: 
@@ -163753,9 +163901,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.064        0.032      199.8
+68:        Time:        0.001        0.001      191.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:       24.435        0.982
+68: Performance:     1389.051        0.017
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 100, rlist from 0.702 to 0.74
 68: 
@@ -163773,13 +163921,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.064        0.032      199.8
+68:        Time:        0.001        0.001      192.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:       24.223        0.991
+68: Performance:     1323.120        0.018
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (140 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (10 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/8
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]:
@@ -163882,13 +164030,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 13 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.136        0.068      199.8
+68:        Time:        0.001        0.001      192.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:       21.510        1.116
+68: Performance:     2127.277        0.011
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -163904,13 +164049,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 15 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.075        0.038      199.7
+68:        Time:        0.001        0.001      190.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:       20.663        1.161
+68: Performance:     1331.221        0.018
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -163926,17 +164068,14 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 15 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.075        0.038      199.8
+68:        Time:        0.001        0.001      190.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:       20.626        1.164
+68: Performance:     1313.000        0.018
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/8 (165 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/8 (10 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/9
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]:
@@ -164039,13 +164178,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 12 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.137        0.069      199.9
+68:        Time:        0.002        0.001      193.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:       21.375        1.123
+68: Performance:     1713.180        0.014
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -164061,13 +164197,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 15 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.075        0.038      199.8
+68:        Time:        0.001        0.001      189.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:       20.628        1.163
+68: Performance:     1427.973        0.017
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -164083,17 +164216,14 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 15 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.075        0.038      199.7
+68:        Time:        0.001        0.001      190.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:       20.598        1.165
+68: Performance:     1259.263        0.019
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/9 (168 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/9 (10 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/10
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_input.mdp]:
@@ -164196,13 +164326,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 10 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.167        0.084      199.9
+68:        Time:        0.002        0.001      195.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:       17.533        1.369
+68: Performance:     1546.334        0.016
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -164218,13 +164345,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 12 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.095        0.047      199.8
+68:        Time:        0.001        0.001      194.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:       16.406        1.463
+68: Performance:     1044.011        0.023
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -164240,17 +164364,14 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 12 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.091        0.045      199.8
+68:        Time:        0.001        0.001      192.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:       17.122        1.402
+68: Performance:     1017.308        0.024
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/10 (198 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/10 (11 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/11
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]:
@@ -164353,13 +164474,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 10 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.168        0.084      199.9
+68:        Time:        0.002        0.001      195.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:       17.481        1.373
+68: Performance:     1418.511        0.017
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -164375,13 +164493,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 12 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.095        0.048      199.9
+68:        Time:        0.002        0.001      194.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:       16.364        1.467
+68: Performance:      984.750        0.024
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -164397,17 +164512,14 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 12 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.090        0.045      199.8
+68:        Time:        0.002        0.001      192.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:       17.227        1.393
+68: Performance:      966.368        0.025
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/11 (196 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/11 (11 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/12
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_12_input.mdp]:
@@ -164493,13 +164605,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 13 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.135        0.068      199.9
+68:        Time:        0.001        0.001      193.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:       21.697        1.106
+68: Performance:     1950.172        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_12_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -164514,13 +164623,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 15 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.076        0.038      199.8
+68:        Time:        0.001        0.001      191.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:       20.543        1.168
+68: Performance:     1271.536        0.019
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_12_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -164535,17 +164641,14 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 16 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.076        0.038      199.8
+68:        Time:        0.001        0.001      192.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:       20.477        1.172
+68: Performance:     1244.844        0.019
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_12_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_12_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_12_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/12 (168 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/12 (11 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/13
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_13_input.mdp]:
@@ -164634,9 +164737,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.127        0.064      199.9
+68:        Time:        0.001        0.001      192.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:       23.096        1.039
+68: Performance:     2149.544        0.011
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_13_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 100, rlist from 0.73 to 0.814
 68: 
@@ -164654,9 +164757,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.072        0.036      199.8
+68:        Time:        0.001        0.001      190.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:       21.657        1.108
+68: Performance:     1437.413        0.017
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_13_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 100, rlist from 0.73 to 0.814
 68: 
@@ -164674,13 +164777,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.072        0.036      199.8
+68:        Time:        0.001        0.001      191.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:       21.670        1.108
+68: Performance:     1348.281        0.018
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_13_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_13_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_13_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/13 (160 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/13 (12 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/14
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_14_input.mdp]:
@@ -164770,13 +164873,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 10 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.167        0.084      199.9
+68:        Time:        0.002        0.001      193.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:       17.580        1.365
+68: Performance:     1820.506        0.013
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_14_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -164791,13 +164891,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 12 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.092        0.046      199.8
+68:        Time:        0.001        0.001      192.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:       16.890        1.421
+68: Performance:     1234.945        0.019
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_14_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -164812,17 +164909,14 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 13 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.092        0.046      199.8
+68:        Time:        0.001        0.001      192.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:       16.823        1.427
+68: Performance:     1196.000        0.020
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_14_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_14_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_14_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/14 (198 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/14 (11 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/15
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_15_input.mdp]:
@@ -164915,9 +165009,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.155        0.078      199.9
+68:        Time:        0.002        0.001      193.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:       18.928        1.268
+68: Performance:     1846.701        0.013
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_15_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 25, rlist from 0.753 to 0.895
 68: 
@@ -164935,9 +165029,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.086        0.043      199.8
+68:        Time:        0.001        0.001      192.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:       18.097        1.326
+68: Performance:     1218.793        0.020
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_15_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 25, rlist from 0.753 to 0.895
 68: 
@@ -164955,13 +165049,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.087        0.043      199.8
+68:        Time:        0.001        0.001      192.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:       17.923        1.339
+68: Performance:     1215.161        0.020
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_15_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_15_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_15_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/15 (186 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/15 (11 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/16
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_16_input.mdp]:
@@ -165111,9 +165205,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.469        0.234      200.0
+68:        Time:        0.004        0.002      196.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:        6.264        3.832
+68: Performance:      691.658        0.035
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_16_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -165132,9 +165226,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.224        0.112      199.9
+68:        Time:        0.012        0.006      198.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:        6.930        3.463
+68: Performance:      130.569        0.184
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_16_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -165153,13 +165247,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.224        0.112      199.9
+68:        Time:        0.003        0.001      194.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:        6.925        3.465
+68: Performance:      551.766        0.043
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_16_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_16_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_16_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/16 (559 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/16 (35 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/17
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_17_input.mdp]:
@@ -165309,9 +165403,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.419        0.210      199.9
+68:        Time:        0.004        0.002      195.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:        7.011        3.423
+68: Performance:      744.663        0.032
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_17_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -165330,9 +165424,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.224        0.112      199.9
+68:        Time:        0.002        0.001      194.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:        6.941        3.458
+68: Performance:      633.791        0.038
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_17_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -165351,13 +165445,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.225        0.112      199.9
+68:        Time:        0.003        0.001      194.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:        6.923        3.467
+68: Performance:      589.675        0.041
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_17_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_17_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_17_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/17 (508 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/17 (27 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/18
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_18_input.mdp]:
@@ -165507,9 +165601,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.497        0.249      200.0
+68:        Time:        0.004        0.002      196.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:        5.905        4.064
+68: Performance:      653.991        0.037
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_18_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -165528,9 +165622,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.266        0.133      199.9
+68:        Time:        0.003        0.001      194.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:        5.845        4.106
+68: Performance:      568.402        0.042
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_18_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -165549,13 +165643,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.260        0.130      199.9
+68:        Time:        0.003        0.001      194.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:        5.972        4.019
+68: Performance:      557.997        0.043
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_18_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_18_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_18_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/18 (576 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/18 (28 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/19
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_19_input.mdp]:
@@ -165705,9 +165799,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.498        0.249      199.9
+68:        Time:        0.004        0.002      196.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:        5.899        4.069
+68: Performance:      684.586        0.035
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_19_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -165726,9 +165820,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.265        0.133      199.9
+68:        Time:        0.003        0.001      194.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:        5.857        4.098
+68: Performance:      573.802        0.042
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_19_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -165747,13 +165841,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.260        0.130      199.9
+68:        Time:        0.003        0.001      194.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:        5.982        4.012
+68: Performance:      551.393        0.044
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_19_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_19_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_19_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/19 (576 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/19 (27 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/20
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_20_input.mdp]:
@@ -165886,9 +165980,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.422        0.211      200.0
+68:        Time:        0.004        0.002      196.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:        6.956        3.450
+68: Performance:      688.488        0.035
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_20_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Update groups can not be used for this system because an incompatible virtual site type is used
 68: 
@@ -165906,9 +166000,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.227        0.113      199.9
+68:        Time:        0.003        0.001      194.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:        6.861        3.498
+68: Performance:      550.927        0.044
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_20_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Update groups can not be used for this system because an incompatible virtual site type is used
 68: 
@@ -165926,13 +166020,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.226        0.113      199.9
+68:        Time:        0.003        0.002      195.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:        6.866        3.496
+68: Performance:      485.485        0.049
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_20_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_20_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_20_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/20 (518 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/20 (48 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/21
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_21_input.mdp]:
@@ -166067,9 +166161,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.408        0.204      199.9
+68:        Time:        0.004        0.002      196.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:        7.197        3.335
+68: Performance:      742.151        0.032
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_21_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 80, rlist from 0.743 to 0.847
 68: 
@@ -166089,9 +166183,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.219        0.109      199.9
+68:        Time:        0.003        0.001      194.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:        7.112        3.375
+68: Performance:      580.440        0.041
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_21_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 80, rlist from 0.743 to 0.846
 68: 
@@ -166111,13 +166205,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.220        0.110      199.9
+68:        Time:        0.003        0.001      194.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:        7.081        3.389
+68: Performance:      555.999        0.043
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_21_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_21_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_21_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/21 (570 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/21 (114 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/22
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_22_input.mdp]:
@@ -166254,9 +166348,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.664        0.332      200.0
+68:        Time:        0.005        0.003      196.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:        4.423        5.426
+68: Performance:      559.241        0.043
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_22_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Update groups can not be used for this system because an incompatible virtual site type is used
 68: 
@@ -166274,9 +166368,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.354        0.177      199.9
+68:        Time:        0.003        0.002      195.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:        4.395        5.461
+68: Performance:      444.103        0.054
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_22_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Update groups can not be used for this system because an incompatible virtual site type is used
 68: 
@@ -166294,13 +166388,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.383        0.192      199.9
+68:        Time:        0.003        0.002      195.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:        4.059        5.913
+68: Performance:      463.939        0.052
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_22_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_22_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_22_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/22 (791 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/22 (45 ms)
 68: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/23
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_23_input.mdp]:
@@ -166439,9 +166533,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.652        0.326      200.0
+68:        Time:        0.005        0.002      196.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:        4.505        5.327
+68: Performance:      598.814        0.040
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_23_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 25, rlist from 0.725 to 0.797
 68: 
@@ -166461,9 +166555,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.349        0.174      199.9
+68:        Time:        0.003        0.002      192.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:        4.461        5.380
+68: Performance:      497.103        0.048
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_23_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 25, rlist from 0.725 to 0.797
 68: 
@@ -166483,14 +166577,14 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.347        0.173      199.9
+68:        Time:        0.003        0.002      195.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:        4.482        5.354
+68: Performance:      465.528        0.052
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_23_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_23_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_23_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/23 (787 ms)
-68: [----------] 24 tests from NormalIntegrators/MdrunNoAppendContinuationIsExact (7744 ms total)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/23 (65 ms)
+68: [----------] 24 tests from NormalIntegrators/MdrunNoAppendContinuationIsExact (572 ms total)
 68: 
 68: [----------] 8 tests from NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact
 68: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -166608,9 +166702,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.002      193.4
+68:        Time:        0.004        0.002      195.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      937.258        0.026
+68: Performance:      790.124        0.030
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -166627,9 +166721,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.008        0.004      197.4
+68:        Time:        0.002        0.001      193.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      186.894        0.128
+68: Performance:      642.532        0.037
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -166646,13 +166740,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.004        0.002      194.1
+68:        Time:        0.003        0.001      193.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      353.166        0.068
+68: Performance:      592.675        0.040
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (50 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (26 ms)
 68: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -166768,9 +166862,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.001      193.1
+68:        Time:        0.004        0.002      195.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      981.299        0.024
+68: Performance:      775.600        0.031
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -166787,9 +166881,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.008        0.004      197.3
+68:        Time:        0.002        0.001      193.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:      181.234        0.132
+68: Performance:      606.902        0.040
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -166806,13 +166900,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.014        0.007      197.9
+68:        Time:        0.003        0.001      193.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:      107.364        0.224
+68: Performance:      585.021        0.041
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (58 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (27 ms)
 68: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/2
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]:
@@ -166928,9 +167022,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.019        0.010      199.3
+68:        Time:        0.005        0.002      197.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:      152.072        0.158
+68: Performance:      642.733        0.037
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -166947,9 +167041,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.002      156.7
+68:        Time:        0.003        0.002      196.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:      418.677        0.057
+68: Performance:      470.837        0.051
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -166966,13 +167060,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.006        0.003      194.9
+68:        Time:        0.003        0.002      194.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      233.748        0.103
+68: Performance:      463.939        0.052
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (64 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (28 ms)
 68: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/3
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]:
@@ -167088,9 +167182,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.012        0.006      198.5
+68:        Time:        0.005        0.002      197.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      241.734        0.099
+68: Performance:      633.545        0.038
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -167107,9 +167201,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.004        0.002      196.1
+68:        Time:        0.003        0.002      196.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      431.585        0.056
+68: Performance:      473.847        0.051
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -167126,13 +167220,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.002      191.9
+68:        Time:        0.003        0.002      192.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:      506.128        0.047
+68: Performance:      472.611        0.051
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (62 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (28 ms)
 68: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/4
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]:
@@ -167230,13 +167324,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 44 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.045        0.022      199.4
+68:        Time:        0.004        0.002      195.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:       65.612        0.366
+68: Performance:      742.956        0.032
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -167252,9 +167343,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.009        0.004      197.4
+68:        Time:        0.003        0.001      193.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:      175.604        0.137
+68: Performance:      577.766        0.042
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -167270,13 +167361,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.001      193.1
+68:        Time:        0.003        0.001      193.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:      577.971        0.042
+68: Performance:      570.191        0.042
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (107 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (43 ms)
 68: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/5
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]:
@@ -167377,9 +167468,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.007        0.003      196.5
+68:        Time:        0.004        0.002      195.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      437.604        0.055
+68: Performance:      708.440        0.034
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 100, rlist from 0.729 to 0.809
 68: 
@@ -167397,9 +167488,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.012        0.006      197.8
+68:        Time:        0.003        0.001      193.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:      123.131        0.195
+68: Performance:      588.080        0.041
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 100, rlist from 0.729 to 0.809
 68: 
@@ -167417,13 +167508,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.016        0.008      198.4
+68:        Time:        0.003        0.001      194.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:       95.912        0.250
+68: Performance:      571.890        0.042
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (250 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (125 ms)
 68: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/6
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]:
@@ -167526,9 +167617,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.010        0.005      197.9
+68:        Time:        0.004        0.002      194.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:      282.182        0.085
+68: Performance:      694.073        0.035
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -167544,9 +167635,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.001      193.5
+68:        Time:        0.003        0.001      194.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:      531.014        0.045
+68: Performance:      535.197        0.045
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -167562,13 +167653,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.001      193.9
+68:        Time:        0.003        0.001      194.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:      528.776        0.045
+68: Performance:      538.111        0.045
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_6_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (73 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (38 ms)
 68: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/7
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]:
@@ -167673,9 +167764,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.002      194.9
+68:        Time:        0.004        0.002      196.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:      883.873        0.027
+68: Performance:      660.299        0.036
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 20, rlist from 0.751 to 0.848
 68: 
@@ -167692,13 +167783,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 10 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.185        0.093      199.9
+68:        Time:        0.003        0.001      193.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:        8.395        2.859
+68: Performance:      562.035        0.043
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 20, rlist from 0.751 to 0.848
 68: 
@@ -167716,14 +167804,14 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.126        0.063      199.8
+68:        Time:        0.003        0.001      193.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:       12.315        1.949
+68: Performance:      540.967        0.044
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_7_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (244 ms)
-68: [----------] 8 tests from NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact (913 ms total)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (44 ms)
+68: [----------] 8 tests from NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact (364 ms total)
 68: 
 68: [----------] 8 tests from NVT/MdrunNoAppendContinuationIsExact
 68: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -167797,13 +167885,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 14 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.126        0.063      199.9
+68:        Time:        0.002        0.001      193.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:       23.312        1.030
+68: Performance:     1826.985        0.013
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -167818,13 +167903,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 18 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.069        0.035      199.7
+68:        Time:        0.001        0.001      190.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:       22.393        1.072
+68: Performance:     1326.888        0.018
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -167839,17 +167921,14 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 17 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.068        0.034      199.7
+68:        Time:        0.001        0.001      191.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:       22.745        1.055
+68: Performance:     1221.532        0.020
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (155 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (10 ms)
 68: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -167924,9 +168003,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.114        0.057      199.8
+68:        Time:        0.001        0.001      192.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:       25.746        0.932
+68: Performance:     2027.845        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 100, rlist from 0.702 to 0.74
 68: 
@@ -167944,9 +168023,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.064        0.032      199.7
+68:        Time:        0.001        0.001      190.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:       24.201        0.992
+68: Performance:     1336.129        0.018
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 100, rlist from 0.702 to 0.74
 68: 
@@ -167964,13 +168043,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.064        0.032      199.7
+68:        Time:        0.001        0.001      191.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:       24.102        0.996
+68: Performance:     1294.242        0.019
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (143 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (10 ms)
 68: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/2
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]:
@@ -168052,13 +168131,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 14 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.124        0.062      199.8
+68:        Time:        0.001        0.001      192.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:       23.624        1.016
+68: Performance:     1937.294        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -168073,13 +168149,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 17 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.069        0.034      199.7
+68:        Time:        0.001        0.001      190.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:       22.586        1.063
+68: Performance:     1298.364        0.018
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -168094,17 +168167,14 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 38 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.015        0.008      198.5
+68:        Time:        0.001        0.001      191.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:      102.222        0.235
+68: Performance:     1104.467        0.022
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (129 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (10 ms)
 68: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/3
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]:
@@ -168189,9 +168259,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      191.8
+68:        Time:        0.001        0.001      192.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:     2059.022        0.012
+68: Performance:     2005.402        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 100, rlist from 0.702 to 0.74
 68: 
@@ -168208,13 +168278,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 79 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.008        0.004      198.0
+68:        Time:        0.001        0.001      190.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      195.100        0.123
+68: Performance:     1368.075        0.018
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 100, rlist from 0.702 to 0.74
 68: 
@@ -168232,13 +168299,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.023        0.011      198.9
+68:        Time:        0.001        0.001      191.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:       68.251        0.352
+68: Performance:     1245.795        0.019
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (34 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (10 ms)
 68: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/4
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]:
@@ -168310,13 +168377,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 13 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.139        0.070      199.9
+68:        Time:        0.002        0.001      195.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:       21.113        1.137
+68: Performance:     1507.363        0.016
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -168331,13 +168395,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 14 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.078        0.039      199.8
+68:        Time:        0.001        0.001      194.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:       19.803        1.212
+68: Performance:     1037.040        0.023
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -168352,17 +168413,14 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 15 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.076        0.038      199.7
+68:        Time:        0.002        0.001      191.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:       20.420        1.175
+68: Performance:      979.427        0.025
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (164 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (11 ms)
 68: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/5
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]:
@@ -168437,9 +168495,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.131        0.066      199.9
+68:        Time:        0.002        0.001      194.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:       22.384        1.072
+68: Performance:     1589.831        0.015
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 100, rlist from 0.702 to 0.74
 68: 
@@ -168457,9 +168515,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.075        0.037      199.8
+68:        Time:        0.002        0.001      194.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:       20.851        1.151
+68: Performance:      991.938        0.024
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 100, rlist from 0.702 to 0.74
 68: 
@@ -168477,13 +168535,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.072        0.036      199.7
+68:        Time:        0.002        0.001      191.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:       21.614        1.110
+68: Performance:      968.376        0.025
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (157 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (11 ms)
 68: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/6
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]:
@@ -168555,13 +168613,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 18 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.064        0.032      199.8
+68:        Time:        0.003        0.001      196.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:       45.832        0.524
+68: Performance:     1047.542        0.023
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -168576,13 +168631,13 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 13 % of the run time was spent in pair search,
+68: NOTE: 19 % of the run time was spent in pair search,
 68:       you might want to increase nstlist (this has no effect on accuracy)
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.088        0.044      199.8
+68:        Time:        0.002        0.001      195.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:       17.628        1.361
+68: Performance:      770.128        0.031
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -168597,17 +168652,14 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 13 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.085        0.042      199.7
+68:        Time:        0.002        0.001      192.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:       18.305        1.311
+68: Performance:      803.719        0.030
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (141 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (12 ms)
 68: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/7
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]:
@@ -168682,9 +168734,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.147        0.073      199.9
+68:        Time:        0.002        0.001      194.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:       19.986        1.201
+68: Performance:     1448.870        0.017
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 100, rlist from 0.702 to 0.74
 68: 
@@ -168702,9 +168754,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.085        0.042      199.8
+68:        Time:        0.002        0.001      193.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:       18.373        1.306
+68: Performance:      861.233        0.028
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Changing nstlist from 8 to 100, rlist from 0.702 to 0.74
 68: 
@@ -168722,14 +168774,14 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.081        0.041      199.6
+68:        Time:        0.002        0.001      191.1
 68:                  (ns/day)    (hour/ns)
-68: Performance:       19.129        1.255
+68: Performance:      851.120        0.028
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (175 ms)
-68: [----------] 8 tests from NVT/MdrunNoAppendContinuationIsExact (1103 ms total)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (12 ms)
+68: [----------] 8 tests from NVT/MdrunNoAppendContinuationIsExact (90 ms total)
 68: 
 68: [----------] 2 tests from NPH/MdrunNoAppendContinuationIsExact
 68: [ RUN      ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -168814,13 +168866,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 14 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.124        0.062      199.8
+68:        Time:        0.001        0.001      192.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:       23.587        1.018
+68: Performance:     1935.468        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -168836,13 +168885,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 17 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.069        0.034      199.7
+68:        Time:        0.001        0.001      190.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:       22.587        1.063
+68: Performance:     1353.316        0.018
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -168858,17 +168904,14 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 17 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.068        0.034      199.7
+68:        Time:        0.001        0.001      190.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:       22.698        1.057
+68: Performance:     1296.300        0.019
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (153 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (10 ms)
 68: [ RUN      ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -168951,13 +168994,10 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 16 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.038        0.019      199.5
+68:        Time:        0.003        0.001      196.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:       77.961        0.308
+68: Performance:     1137.690        0.021
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -168974,9 +169014,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.013        0.007      198.9
+68:        Time:        0.002        0.001      194.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      119.504        0.201
+68: Performance:      988.331        0.024
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -168993,14 +169033,14 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.013        0.006      198.1
+68:        Time:        0.002        0.001      191.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      119.903        0.200
+68: Performance:      893.314        0.027
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (45 ms)
-68: [----------] 2 tests from NPH/MdrunNoAppendContinuationIsExact (198 ms total)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (11 ms)
+68: [----------] 2 tests from NPH/MdrunNoAppendContinuationIsExact (22 ms total)
 68: 
 68: [----------] 8 tests from NPT/MdrunNoAppendContinuationIsExact
 68: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -169075,9 +169115,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.002      195.1
+68:        Time:        0.001        0.001      192.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      885.652        0.027
+68: Performance:     1931.826        0.012
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -169093,9 +169133,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.008        0.004      197.0
+68:        Time:        0.001        0.001      191.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:      193.940        0.124
+68: Performance:     1159.847        0.021
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -169111,13 +169151,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      193.7
+68:        Time:        0.001        0.001      190.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:      774.701        0.031
+68: Performance:     1247.701        0.019
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (32 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (11 ms)
 68: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -169189,10 +169229,13 @@
 68: 
 68: Writing final coordinates.
 68: 
+68: NOTE: 16 % of the run time was spent in pair search,
+68:       you might want to increase nstlist (this has no effect on accuracy)
+68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.013        0.006      198.2
+68:        Time:        0.002        0.001      193.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      228.060        0.105
+68: Performance:     1586.555        0.015
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -169208,9 +169251,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      194.0
+68:        Time:        0.001        0.001      191.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:      726.714        0.033
+68: Performance:     1249.613        0.019
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -169226,13 +169269,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      193.7
+68:        Time:        0.001        0.001      190.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:      773.598        0.031
+68: Performance:     1267.090        0.019
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (31 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (10 ms)
 68: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/2
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]:
@@ -169314,10 +169357,13 @@
 68: 
 68: Writing final coordinates.
 68: 
+68: NOTE: 10 % of the run time was spent in pair search,
+68:       you might want to increase nstlist (this has no effect on accuracy)
+68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.002      194.5
+68:        Time:        0.002        0.001      192.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:      909.313        0.026
+68: Performance:     1871.383        0.013
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -169333,9 +169379,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      193.7
+68:        Time:        0.001        0.001      190.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      712.738        0.034
+68: Performance:     1320.976        0.018
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -169351,13 +169397,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.008        0.004      197.0
+68:        Time:        0.001        0.001      190.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:      191.290        0.125
+68: Performance:     1254.902        0.019
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (28 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (10 ms)
 68: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/3
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]:
@@ -169440,9 +169486,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.019        0.009      198.8
+68:        Time:        0.002        0.001      193.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:      157.415        0.152
+68: Performance:     1544.783        0.016
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -169458,9 +169504,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.004        0.002      195.9
+68:        Time:        0.001        0.001      190.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:      353.664        0.068
+68: Performance:     1327.969        0.018
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -169476,13 +169522,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.014        0.007      198.2
+68:        Time:        0.001        0.001      191.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      107.533        0.223
+68: Performance:     1212.450        0.020
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (35 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (10 ms)
 68: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/4
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]:
@@ -169555,9 +169601,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.021        0.011      199.3
+68:        Time:        0.002        0.001      195.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      136.617        0.176
+68: Performance:     1464.019        0.016
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -169573,9 +169619,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.001      195.6
+68:        Time:        0.002        0.001      194.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      585.126        0.041
+68: Performance:      947.007        0.025
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -169591,13 +169637,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.012        0.006      197.5
+68:        Time:        0.002        0.001      191.5
 68:                  (ns/day)    (hour/ns)
-68: Performance:      124.971        0.192
+68: Performance:      920.285        0.026
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (34 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (11 ms)
 68: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/5
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]:
@@ -169670,9 +169716,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.002      196.6
+68:        Time:        0.002        0.001      195.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      924.875        0.026
+68: Performance:     1432.696        0.017
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -169688,9 +169734,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.001      195.8
+68:        Time:        0.002        0.001      195.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:      590.315        0.041
+68: Performance:      693.049        0.035
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -169705,17 +169751,14 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 11 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.001      190.8
+68:        Time:        0.002        0.001      191.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      591.600        0.041
+68: Performance:      897.246        0.027
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (30 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (11 ms)
 68: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/6
 68: [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (0 ms)
 68: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/7
@@ -169790,9 +169833,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.004        0.002      196.6
+68:        Time:        0.002        0.001      195.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:      769.497        0.031
+68: Performance:     1307.982        0.018
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -169808,9 +169851,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.006        0.003      197.4
+68:        Time:        0.002        0.001      195.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:      250.556        0.096
+68: Performance:      813.745        0.029
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -169826,14 +169869,14 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.004        0.002      193.3
+68:        Time:        0.002        0.001      191.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:      417.765        0.057
+68: Performance:      864.200        0.028
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (28 ms)
-68: [----------] 8 tests from NPT/MdrunNoAppendContinuationIsExact (222 ms total)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (12 ms)
+68: [----------] 8 tests from NPT/MdrunNoAppendContinuationIsExact (79 ms total)
 68: 
 68: [----------] 1 test from MTTK/MdrunNoAppendContinuationIsExact
 68: [ RUN      ] MTTK/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -169916,9 +169959,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.014        0.007      198.7
+68:        Time:        0.003        0.001      195.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      208.975        0.115
+68: Performance:     1015.929        0.024
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -169934,9 +169977,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.004        0.002      196.0
+68:        Time:        0.002        0.001      194.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      383.254        0.063
+68: Performance:      675.397        0.036
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -169952,14 +169995,14 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.009        0.005      196.9
+68:        Time:        0.002        0.001      192.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:      165.390        0.145
+68: Performance:      716.024        0.034
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] MTTK/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (30 ms)
-68: [----------] 1 test from MTTK/MdrunNoAppendContinuationIsExact (30 ms total)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] MTTK/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (13 ms)
+68: [----------] 1 test from MTTK/MdrunNoAppendContinuationIsExact (13 ms total)
 68: 
 68: [----------] 2 tests from Pull/MdrunNoAppendContinuationIsExact
 68: [ RUN      ] Pull/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -170063,9 +170106,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.004        0.002      195.5
+68:        Time:        0.002        0.001      191.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:      695.641        0.035
+68: Performance:     1682.763        0.014
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -170082,9 +170125,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      191.8
+68:        Time:        0.001        0.001      189.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:      749.251        0.032
+68: Performance:     1127.373        0.021
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -170101,13 +170144,13 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      189.5
+68:        Time:        0.001        0.001      189.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      811.922        0.030
+68: Performance:     1094.093        0.022
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Pull/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (29 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Pull/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (12 ms)
 68: [ RUN      ] Pull/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -170209,9 +170252,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.002      195.4
+68:        Time:        0.002        0.001      194.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:      854.926        0.028
+68: Performance:     1317.492        0.018
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -170228,9 +170271,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.010        0.005      197.8
+68:        Time:        0.002        0.001      193.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:      158.540        0.151
+68: Performance:      868.804        0.028
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Can not increase nstlist because an NVE ensemble is used
 68: Using 1 MPI thread
@@ -170247,18 +170290,18 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.001      192.8
+68:        Time:        0.002        0.001      189.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      553.922        0.043
+68: Performance:      788.943        0.030
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Pull/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (27 ms)
-68: [----------] 2 tests from Pull/MdrunNoAppendContinuationIsExact (56 ms total)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Pull/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (13 ms)
+68: [----------] 2 tests from Pull/MdrunNoAppendContinuationIsExact (25 ms total)
 68: 
 68: [----------] 2 tests from Awh/MdrunNoAppendContinuationIsExact
 68: [ RUN      ] Awh/MdrunNoAppendContinuationIsExact.WithinTolerances/0
-68: Setting the AWH bias MC random seed to -621281341
+68: Setting the AWH bias MC random seed to -70451329
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]:
 68:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -170289,7 +170332,7 @@
 68:        3         1         0     158.667 deg          0.000 deg
 68: 
 68: There were 3 NOTEs
-68: Setting the AWH bias MC random seed to 2129977247
+68: Setting the AWH bias MC random seed to -35201554
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]:
 68:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -170373,9 +170416,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.014        0.007      197.6
+68:        Time:        0.004        0.002      192.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:      209.958        0.114
+68: Performance:      803.940        0.030
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -170391,9 +170434,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.001      190.2
+68:        Time:        0.003        0.001      190.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      528.433        0.045
+68: Performance:      576.745        0.042
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -170409,15 +170452,15 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.005        0.002      194.0
+68:        Time:        0.003        0.001      191.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      325.758        0.074
+68: Performance:      528.433        0.045
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Awh/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (82 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Awh/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (35 ms)
 68: [ RUN      ] Awh/MdrunNoAppendContinuationIsExact.WithinTolerances/1
-68: Setting the AWH bias MC random seed to -144247300
+68: Setting the AWH bias MC random seed to -546069013
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
 68:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -170448,7 +170491,7 @@
 68:        3         1         0     158.667 deg          0.000 deg
 68: 
 68: There were 3 NOTEs
-68: Setting the AWH bias MC random seed to -16914817
+68: Setting the AWH bias MC random seed to -524299
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
 68:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -170532,9 +170575,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.005        0.002      193.6
+68:        Time:        0.005        0.002      194.4
 68:                  (ns/day)    (hour/ns)
-68: Performance:      612.202        0.039
+68: Performance:      597.594        0.040
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -170550,9 +170593,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.012        0.006      197.1
+68:        Time:        0.003        0.001      191.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      127.258        0.189
+68: Performance:      541.057        0.044
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -170568,14 +170611,14 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.002      190.5
+68:        Time:        0.003        0.002      192.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:      483.041        0.050
+68: Performance:      464.269        0.052
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Awh/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (70 ms)
-68: [----------] 2 tests from Awh/MdrunNoAppendContinuationIsExact (152 ms total)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Awh/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (35 ms)
+68: [----------] 2 tests from Awh/MdrunNoAppendContinuationIsExact (70 ms total)
 68: 
 68: [----------] 1 test from ExpandedEnsemble/MdrunNoAppendContinuationIsExact
 68: [ RUN      ] ExpandedEnsemble/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -170672,9 +170715,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.022        0.011      199.3
+68:        Time:        0.007        0.004      197.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      135.693        0.177
+68: Performance:      396.613        0.061
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsemble_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -170690,9 +170733,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.006        0.003      197.3
+68:        Time:        0.005        0.002      197.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      261.442        0.092
+68: Performance:      321.773        0.075
 68: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsemble_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 68: Using 1 MPI thread
 68: Using 2 OpenMP threads 
@@ -170708,14 +170751,14 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.006        0.003      192.5
+68:        Time:        0.005        0.002      192.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      271.452        0.088
+68: Performance:      315.303        0.076
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsemble_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsemble_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsemble_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] ExpandedEnsemble/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (83 ms)
-68: [----------] 1 test from ExpandedEnsemble/MdrunNoAppendContinuationIsExact (89 ms total)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] ExpandedEnsemble/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (43 ms)
+68: [----------] 1 test from ExpandedEnsemble/MdrunNoAppendContinuationIsExact (43 ms total)
 68: 
 68: [----------] 3 tests from Checking/InitialConstraintsTest
 68: [ RUN      ] Checking/InitialConstraintsTest.Works/0
@@ -170746,7 +170789,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc-and-methanol'
 68: 1 steps,      0.0 ps.
-68: Setting the LD random seed to -813891585
+68: Setting the LD random seed to -1342439489
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -170773,11 +170816,11 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      192.0
+68:        Time:        0.001        0.001      188.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:      187.135        0.128
+68: Performance:      300.612        0.080
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_0_spc-and-methanol.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/0 (6 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/0 (4 ms)
 68: [ RUN      ] Checking/InitialConstraintsTest.Works/1
 68: Number of degrees of freedom in T-Coupling group rest is 11.00
 68: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
@@ -170806,7 +170849,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc-and-methanol'
 68: 1 steps,      0.0 ps.
-68: Setting the LD random seed to -43157349
+68: Setting the LD random seed to -920615
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -170833,11 +170876,11 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.012        0.006      198.6
+68:        Time:        0.001        0.001      192.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:       29.089        0.825
+68: Performance:      244.857        0.098
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_1_spc-and-methanol.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/1 (14 ms)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/1 (4 ms)
 68: [ RUN      ] Checking/InitialConstraintsTest.Works/2
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_2_input.mdp]:
@@ -170872,7 +170915,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc-and-methanol'
 68: 1 steps,      0.0 ps.
-68: Setting the LD random seed to -1090790041
+68: Setting the LD random seed to -634406067
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -170899,17 +170942,17 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      192.0
+68:        Time:        0.001        0.001      187.6
 68:                  (ns/day)    (hour/ns)
-68: Performance:      192.504        0.125
+68: Performance:      336.635        0.071
 68: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_2_spc-and-methanol.edr as double precision energy file
-68: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/2 (6 ms)
-68: [----------] 3 tests from Checking/InitialConstraintsTest (34 ms total)
+68: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/2 (4 ms)
+68: [----------] 3 tests from Checking/InitialConstraintsTest (13 ms total)
 68: 
 68: [----------] Global test environment tear-down
-68: [==========] 76 tests from 13 test suites ran. (11192 ms total)
+68: [==========] 76 tests from 13 test suites ran. (1533 ms total)
 68: [  PASSED  ] 76 tests.
-68/92 Test #68: MdrunIOTests ..............................   Passed   11.22 sec
+68/92 Test #68: MdrunIOTests ..............................   Passed    1.56 sec
 test 69
       Start 69: MdrunTestsOneRank
 
@@ -170960,7 +171003,7 @@
 69: SWAP: Channel 1 flux history for ion type CL- (charge -1): 0 molecules
 69: starting mdrun 'Channel_coco in octane membrane'
 69: 2 steps,      0.0 ps.
-69: Setting the LD random seed to -152765699
+69: Setting the LD random seed to -553715890
 69: 
 69: Generated 330891 of the 330891 non-bonded parameter combinations
 69: 
@@ -171004,13 +171047,13 @@
 69: 
 69: Writing final coordinates.
 69: 
-69: NOTE: 30 % of the run time was spent in pair search,
+69: NOTE: 39 % of the run time was spent in pair search,
 69:       you might want to increase nstlist (this has no effect on accuracy)
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.606        0.303      199.9
+69:        Time:        0.336        0.168      199.9
 69:                  (ns/day)    (hour/ns)
-69: Performance:        4.273        5.616
+69: Performance:        7.701        3.116
 69: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/CompelTest_SwapCanRun.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 69: Overriding nsteps with value passed on the command line: 2 steps, 0.01 ps
 69: 
@@ -171035,15 +171078,15 @@
 69: 
 69: Writing final coordinates.
 69: 
-69: NOTE: 20 % of the run time was spent in pair search,
+69: NOTE: 30 % of the run time was spent in pair search,
 69:       you might want to increase nstlist (this has no effect on accuracy)
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.385        0.193      199.9
+69:        Time:        0.266        0.133      199.9
 69:                  (ns/day)    (hour/ns)
-69: Performance:        6.723        3.570
-69: [       OK ] CompelTest.SwapCanRun (1086 ms)
-69: [----------] 1 test from CompelTest (1088 ms total)
+69: Performance:        9.724        2.468
+69: [       OK ] CompelTest.SwapCanRun (600 ms)
+69: [----------] 1 test from CompelTest (600 ms total)
 69: 
 69: [----------] 6 tests from BondedInteractionsTest
 69: [ RUN      ] BondedInteractionsTest.NormalBondWorks
@@ -171085,11 +171128,14 @@
 69: Reading frames from gro file 'A single butane', 4 atoms.
 69: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 69: 
+69: NOTE: 11 % of the run time was spent in pair search,
+69:       you might want to increase nstlist (this has no effect on accuracy)
+69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.001        0.000      190.2
+69:        Time:        0.001        0.000      188.7
 69:                  (ns/day)    (hour/ns)
-69: Performance:      201.887        0.119
-69: Setting the LD random seed to 1509415517
+69: Performance:      251.833        0.095
+69: Setting the LD random seed to -1140981767
 69: 
 69: Generated 3 of the 3 non-bonded parameter combinations
 69: 
@@ -171098,7 +171144,7 @@
 69: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 69: 
 69: This run will generate roughly 0 Mb of data
-69: [       OK ] BondedInteractionsTest.NormalBondWorks (7 ms)
+69: [       OK ] BondedInteractionsTest.NormalBondWorks (4 ms)
 69: [ RUN      ] BondedInteractionsTest.TabulatedBondWorks
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedBondWorks_input.mdp]:
@@ -171138,11 +171184,14 @@
 69: Reading frames from gro file 'A single butane', 4 atoms.
 69: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 69: 
+69: NOTE: 22 % of the run time was spent in pair search,
+69:       you might want to increase nstlist (this has no effect on accuracy)
+69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.007        0.004      198.2
+69:        Time:        0.000        0.000      186.2
 69:                  (ns/day)    (hour/ns)
-69: Performance:       23.345        1.028
-69: Setting the LD random seed to -272529
+69: Performance:      521.421        0.046
+69: Setting the LD random seed to -306452482
 69: 
 69: Generated 3 of the 3 non-bonded parameter combinations
 69: 
@@ -171151,7 +171200,7 @@
 69: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 69: 
 69: This run will generate roughly 0 Mb of data
-69: [       OK ] BondedInteractionsTest.TabulatedBondWorks (17 ms)
+69: [       OK ] BondedInteractionsTest.TabulatedBondWorks (3 ms)
 69: [ RUN      ] BondedInteractionsTest.NormalAngleWorks
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalAngleWorks_input.mdp]:
@@ -171197,8 +171246,8 @@
 69:                Core t (s)   Wall t (s)        (%)
 69:        Time:        0.000        0.000      186.1
 69:                  (ns/day)    (hour/ns)
-69: Performance:      465.196        0.052
-69: Setting the LD random seed to -1210122265
+69: Performance:      505.422        0.047
+69: Setting the LD random seed to 1457455103
 69: 
 69: Generated 3 of the 3 non-bonded parameter combinations
 69: 
@@ -171207,7 +171256,7 @@
 69: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 69: 
 69: This run will generate roughly 0 Mb of data
-69: [       OK ] BondedInteractionsTest.NormalAngleWorks (11 ms)
+69: [       OK ] BondedInteractionsTest.NormalAngleWorks (3 ms)
 69: [ RUN      ] BondedInteractionsTest.TabulatedAngleWorks
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedAngleWorks_input.mdp]:
@@ -171247,11 +171296,14 @@
 69: Reading frames from gro file 'A single butane', 4 atoms.
 69: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 69: 
+69: NOTE: 82 % of the run time was spent in pair search,
+69:       you might want to increase nstlist (this has no effect on accuracy)
+69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.001        0.000      190.0
+69:        Time:        0.007        0.004      199.1
 69:                  (ns/day)    (hour/ns)
-69: Performance:      204.971        0.117
-69: Setting the LD random seed to 469761759
+69: Performance:       24.496        0.980
+69: Setting the LD random seed to -211943719
 69: 
 69: Generated 3 of the 3 non-bonded parameter combinations
 69: 
@@ -171260,7 +171312,7 @@
 69: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 69: 
 69: This run will generate roughly 0 Mb of data
-69: [       OK ] BondedInteractionsTest.TabulatedAngleWorks (7 ms)
+69: [       OK ] BondedInteractionsTest.TabulatedAngleWorks (8 ms)
 69: [ RUN      ] BondedInteractionsTest.NormalDihedralWorks
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalDihedralWorks_input.mdp]:
@@ -171304,10 +171356,10 @@
 69:       you might want to increase nstlist (this has no effect on accuracy)
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.000        0.000      185.1
+69:        Time:        0.000        0.000      186.1
 69:                  (ns/day)    (hour/ns)
-69: Performance:      510.405        0.047
-69: Setting the LD random seed to -851642802
+69: Performance:      492.375        0.049
+69: Setting the LD random seed to -34146945
 69: 
 69: Generated 3 of the 3 non-bonded parameter combinations
 69: 
@@ -171316,7 +171368,7 @@
 69: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 69: 
 69: This run will generate roughly 0 Mb of data
-69: [       OK ] BondedInteractionsTest.NormalDihedralWorks (9 ms)
+69: [       OK ] BondedInteractionsTest.NormalDihedralWorks (3 ms)
 69: [ RUN      ] BondedInteractionsTest.TabulatedDihedralWorks
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedDihedralWorks_input.mdp]:
@@ -171356,14 +171408,14 @@
 69: Reading frames from gro file 'A single butane', 4 atoms.
 69: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 69: 
-69: NOTE: 19 % of the run time was spent in pair search,
+69: NOTE: 20 % of the run time was spent in pair search,
 69:       you might want to increase nstlist (this has no effect on accuracy)
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.000        0.000      185.4
+69:        Time:        0.000        0.000      185.3
 69:                  (ns/day)    (hour/ns)
-69: Performance:      412.742        0.058
-69: Setting the LD random seed to -19292801
+69: Performance:      502.618        0.048
+69: Setting the LD random seed to -606667521
 69: 
 69: Generated 3 of the 3 non-bonded parameter combinations
 69: 
@@ -171372,8 +171424,8 @@
 69: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 69: 
 69: This run will generate roughly 0 Mb of data
-69: [       OK ] BondedInteractionsTest.TabulatedDihedralWorks (14 ms)
-69: [----------] 6 tests from BondedInteractionsTest (74 ms total)
+69: [       OK ] BondedInteractionsTest.TabulatedDihedralWorks (3 ms)
+69: [----------] 6 tests from BondedInteractionsTest (28 ms total)
 69: 
 69: [----------] 2 tests from BoxDeformationTest
 69: [ RUN      ] BoxDeformationTest.flowDoesNotAffectEkin
@@ -171408,26 +171460,26 @@
 69: starting mdrun 'Argon'
 69: 0 steps,      0.0 ps.
 69: 
-69: NOTE: 25 % of the run time was spent in pair search,
+69: NOTE: 28 % of the run time was spent in pair search,
 69:       you might want to increase nstlist (this has no effect on accuracy)
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.024        0.012      199.2
+69:        Time:        0.000        0.000      162.2
 69:                  (ns/day)    (hour/ns)
-69: Performance:       14.513        1.654
+69: Performance:      999.691        0.024
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_flowDoesNotAffectEkin.edr as double precision energy file
-69: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -536577
+69: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -2637846
 69: 
 69: Generated 1 of the 1 non-bonded parameter combinations
 69: 
 69: Excluding 1 bonded neighbours molecule type 'Argon'
 69: 
-69: Setting gen_seed to -1080582177
+69: Setting gen_seed to -1403560449
 69: 
 69: Velocities were taken from a Maxwell distribution at 0 K
 69: 
 69: This run will generate roughly 0 Mb of data
-69: [       OK ] BoxDeformationTest.flowDoesNotAffectEkin (30 ms)
+69: [       OK ] BoxDeformationTest.flowDoesNotAffectEkin (4 ms)
 69: [ RUN      ] BoxDeformationTest.EnergiesWithinTolerances
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_EnergiesWithinTolerances_input.mdp]:
@@ -171455,7 +171507,7 @@
 69:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 69: starting mdrun 'spc2'
 69: 20 steps,      0.0 ps.
-69: Setting the LD random seed to 2011051519
+69: Setting the LD random seed to -1309725701
 69: 
 69: Generated 330891 of the 330891 non-bonded parameter combinations
 69: 
@@ -171476,12 +171528,12 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.466        0.233      200.0
+69:        Time:        0.108        0.054      199.7
 69:                  (ns/day)    (hour/ns)
-69: Performance:       15.582        1.540
+69: Performance:       66.892        0.359
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_EnergiesWithinTolerances.edr as double precision energy file
-69: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Reading energy frame      2 time    0.040         
Last energy frame read 2 time    0.040         [       OK ] BoxDeformationTest.EnergiesWithinTolerances (752 ms)
-69: [----------] 2 tests from BoxDeformationTest (783 ms total)
+69: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Reading energy frame      2 time    0.040         
Last energy frame read 2 time    0.040         [       OK ] BoxDeformationTest.EnergiesWithinTolerances (304 ms)
+69: [----------] 2 tests from BoxDeformationTest (309 ms total)
 69: 
 69: [----------] 1 test from PositionRestraintCommTest
 69: [ RUN      ] PositionRestraintCommTest.PositionRestraintsTwoCOMs
@@ -171530,7 +171582,7 @@
 69:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 69: starting mdrun 'Channel_coco in octane membrane'
 69: 10 steps,      0.0 ps.
-69: Setting the LD random seed to -88245137
+69: Setting the LD random seed to -226837185
 69: 
 69: Generated 330891 of the 330891 non-bonded parameter combinations
 69: 
@@ -171569,16 +171621,16 @@
 69: 
 69: Writing final coordinates.
 69: 
-69: NOTE: 11 % of the run time was spent in pair search,
+69: NOTE: 14 % of the run time was spent in pair search,
 69:       you might want to increase nstlist (this has no effect on accuracy)
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.764        0.382      200.0
+69:        Time:        0.505        0.252      199.9
 69:                  (ns/day)    (hour/ns)
-69: Performance:        4.973        4.826
+69: Performance:        7.529        3.188
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PositionRestraintCommTest_PositionRestraintsTwoCOMs.edr as double precision energy file
-69: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Last energy frame read 1 time    0.020         [       OK ] PositionRestraintCommTest.PositionRestraintsTwoCOMs (984 ms)
-69: [----------] 1 test from PositionRestraintCommTest (984 ms total)
+69: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Last energy frame read 1 time    0.020         [       OK ] PositionRestraintCommTest.PositionRestraintsTwoCOMs (548 ms)
+69: [----------] 1 test from PositionRestraintCommTest (548 ms total)
 69: 
 69: [----------] 2 tests from MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest
 69: [ RUN      ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/0
@@ -171616,7 +171668,7 @@
 69:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 69: starting mdrun 'UNNAMED in water'
 69: 4 steps,      0.0 ps.
-69: Setting the LD random seed to -76809284
+69: Setting the LD random seed to -219154505
 69: 
 69: Generated 2211 of the 2211 non-bonded parameter combinations
 69: 
@@ -171638,14 +171690,10 @@
 69: 
 69: Writing final coordinates.
 69: 
-69: NOTE: 13 % of the run time was spent in domain decomposition,
-69:       5 % of the run time was spent in pair search,
-69:       you might want to increase nstlist (this has no effect on accuracy)
-69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.106        0.053      199.8
+69:        Time:        0.005        0.002      195.9
 69:                  (ns/day)    (hour/ns)
-69: Performance:        8.148        2.945
+69: Performance:      176.499        0.136
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_input.mdp]:
 69:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
@@ -171680,7 +171728,7 @@
 69:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 69: starting mdrun 'UNNAMED in water'
 69: 4 steps,      0.0 ps.
-69: Setting the LD random seed to 973053949
+69: Setting the LD random seed to -1712064779
 69: 
 69: Generated 2211 of the 2211 non-bonded parameter combinations
 69: 
@@ -171702,14 +171750,10 @@
 69: 
 69: Writing final coordinates.
 69: 
-69: NOTE: 15 % of the run time was spent in domain decomposition,
-69:       5 % of the run time was spent in pair search,
-69:       you might want to increase nstlist (this has no effect on accuracy)
-69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.096        0.048      199.8
+69:        Time:        0.004        0.002      195.2
 69:                  (ns/day)    (hour/ns)
-69: Performance:        9.018        2.661
+69: Performance:      197.745        0.121
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim1.edr as double precision energy file
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim2.edr as double precision energy file
 69: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         trr version: GMX_trn_file (double precision)
@@ -171717,7 +171761,7 @@
 69: 
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim1.edr as double precision energy file
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim2.edr as double precision energy file
-69: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/0 (168 ms)
+69: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/0 (34 ms)
 69: [ RUN      ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/1
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_input.mdp]:
@@ -171753,7 +171797,7 @@
 69:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 69: starting mdrun 'UNNAMED in water'
 69: 4 steps,      0.0 ps.
-69: Setting the LD random seed to 1320148351
+69: Setting the LD random seed to -6832261
 69: 
 69: Generated 2211 of the 2211 non-bonded parameter combinations
 69: 
@@ -171775,14 +171819,10 @@
 69: 
 69: Writing final coordinates.
 69: 
-69: NOTE: 13 % of the run time was spent in domain decomposition,
-69:       4 % of the run time was spent in pair search,
-69:       you might want to increase nstlist (this has no effect on accuracy)
-69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.107        0.053      199.8
+69:        Time:        0.006        0.003      196.4
 69:                  (ns/day)    (hour/ns)
-69: Performance:        8.080        2.970
+69: Performance:      142.931        0.168
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_input.mdp]:
 69:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
@@ -171819,7 +171859,7 @@
 69:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 69: starting mdrun 'UNNAMED in water'
 69: 4 steps,      0.0 ps.
-69: Setting the LD random seed to -605948257
+69: Setting the LD random seed to -684886561
 69: 
 69: Generated 2211 of the 2211 non-bonded parameter combinations
 69: 
@@ -171841,22 +171881,18 @@
 69: 
 69: Writing final coordinates.
 69: 
-69: NOTE: 16 % of the run time was spent in domain decomposition,
-69:       5 % of the run time was spent in pair search,
-69:       you might want to increase nstlist (this has no effect on accuracy)
-69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.095        0.048      199.8
+69:        Time:        0.006        0.003      196.3
 69:                  (ns/day)    (hour/ns)
-69: Performance:        9.067        2.647
+69: Performance:      143.123        0.168
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim1.edr as double precision energy file
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim2.edr as double precision energy file
 69: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
 69: 
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim1.edr as double precision energy file
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim2.edr as double precision energy file
-69: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/1 (164 ms)
-69: [----------] 2 tests from MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest (333 ms total)
+69: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/1 (31 ms)
+69: [----------] 2 tests from MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest (65 ms total)
 69: 
 69: [----------] 1 test from MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest
 69: [ RUN      ] MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest.WithinTolerances/0
@@ -171887,7 +171923,7 @@
 69:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 69: starting mdrun 'spc2'
 69: 4 steps,      0.0 ps.
-69: Setting the LD random seed to -4924419
+69: Setting the LD random seed to -1342178065
 69: 
 69: Generated 3 of the 3 non-bonded parameter combinations
 69: 
@@ -171903,13 +171939,10 @@
 69: 
 69: Writing final coordinates.
 69: 
-69: NOTE: 13 % of the run time was spent in pair search,
-69:       you might want to increase nstlist (this has no effect on accuracy)
-69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.044        0.022      199.5
+69:        Time:        0.001        0.001      188.4
 69:                  (ns/day)    (hour/ns)
-69: Performance:       19.402        1.237
+69: Performance:      634.433        0.038
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_input.mdp]:
 69:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
@@ -171939,7 +171972,7 @@
 69:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 69: starting mdrun 'spc2'
 69: 4 steps,      0.0 ps.
-69: Setting the LD random seed to -295169
+69: Setting the LD random seed to -993137807
 69: 
 69: Generated 3 of the 3 non-bonded parameter combinations
 69: 
@@ -171955,21 +171988,18 @@
 69: 
 69: Writing final coordinates.
 69: 
-69: NOTE: 12 % of the run time was spent in pair search,
-69:       you might want to increase nstlist (this has no effect on accuracy)
-69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.050        0.025      199.5
+69:        Time:        0.001        0.001      187.9
 69:                  (ns/day)    (hour/ns)
-69: Performance:       17.348        1.383
+69: Performance:      613.177        0.039
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim1.edr as double precision energy file
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim2.edr as double precision energy file
 69: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
 69: 
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim1.edr as double precision energy file
 69: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim2.edr as double precision energy file
-69: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest.WithinTolerances/0 (70 ms)
-69: [----------] 1 test from MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest (70 ms total)
+69: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest.WithinTolerances/0 (10 ms)
+69: [----------] 1 test from MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest (10 ms total)
 69: 
 69: [----------] 12 tests from FreezeWorks/FreezeGroupTest
 69: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/0
@@ -172047,16 +172077,13 @@
 69: 
 69: Writing final coordinates.
 69: 
-69: NOTE: 13 % of the run time was spent in pair search,
-69:       you might want to increase nstlist (this has no effect on accuracy)
-69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.093        0.046      199.8
+69:        Time:        0.002        0.001      192.1
 69:                  (ns/day)    (hour/ns)
-69: Performance:       16.786        1.430
+69: Performance:      733.414        0.033
 69: 
 69: 
-69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/0 (65 ms)
+69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/0 (11 ms)
 69: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/1
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_1_input.mdp]:
@@ -172132,12 +172159,12 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.017        0.008      198.4
+69:        Time:        0.002        0.001      191.5
 69:                  (ns/day)    (hour/ns)
-69: Performance:       93.308        0.257
+69: Performance:      711.650        0.034
 69: 
 69: 
-69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/1 (26 ms)
+69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/1 (11 ms)
 69: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/2
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_2_input.mdp]:
@@ -172214,12 +172241,12 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.004        0.002      195.0
+69:        Time:        0.002        0.001      191.6
 69:                  (ns/day)    (hour/ns)
-69: Performance:      407.839        0.059
+69: Performance:      757.078        0.032
 69: 
 69: 
-69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/2 (17 ms)
+69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/2 (11 ms)
 69: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/3
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_3_input.mdp]:
@@ -172296,12 +172323,12 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.003        0.001      193.4
+69:        Time:        0.002        0.001      192.5
 69:                  (ns/day)    (hour/ns)
-69: Performance:      601.307        0.040
+69: Performance:      712.738        0.034
 69: 
 69: 
-69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/3 (14 ms)
+69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/3 (11 ms)
 69: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/4
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_4_input.mdp]:
@@ -172377,12 +172404,12 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.003        0.002      194.2
+69:        Time:        0.002        0.001      192.5
 69:                  (ns/day)    (hour/ns)
-69: Performance:      492.449        0.049
+69: Performance:      639.007        0.038
 69: 
 69: 
-69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/4 (14 ms)
+69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/4 (11 ms)
 69: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/5
 69: ./src/programs/mdrun/tests/freezegroups.cpp:209: Skipped
 69: Parrinello-Rahman is not implemented in md-vv.
@@ -172458,12 +172485,12 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.059        0.029      199.6
+69:        Time:        0.002        0.001      192.4
 69:                  (ns/day)    (hour/ns)
-69: Performance:       26.423        0.908
+69: Performance:      711.184        0.034
 69: 
 69: 
-69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/6 (55 ms)
+69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/6 (14 ms)
 69: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/7
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_7_input.mdp]:
@@ -172535,12 +172562,12 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.002        0.001      191.6
+69:        Time:        0.002        0.001      192.4
 69:                  (ns/day)    (hour/ns)
-69: Performance:      763.279        0.031
+69: Performance:      716.024        0.034
 69: 
 69: 
-69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/7 (36 ms)
+69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/7 (14 ms)
 69: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/8
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_8_input.mdp]:
@@ -172612,12 +172639,12 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.004        0.002      195.8
+69:        Time:        0.003        0.002      191.2
 69:                  (ns/day)    (hour/ns)
-69: Performance:      338.856        0.071
+69: Performance:      516.222        0.046
 69: 
 69: 
-69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/8 (39 ms)
+69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/8 (14 ms)
 69: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/9
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_9_input.mdp]:
@@ -172687,12 +172714,12 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.002        0.001      190.9
+69:        Time:        0.002        0.001      192.1
 69:                  (ns/day)    (hour/ns)
-69: Performance:      913.839        0.026
+69: Performance:      790.281        0.030
 69: 
 69: 
-69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/9 (77 ms)
+69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/9 (29 ms)
 69: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/10
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_10_input.mdp]:
@@ -172762,12 +172789,12 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.192        0.096      199.9
+69:        Time:        0.002        0.001      191.0
 69:                  (ns/day)    (hour/ns)
-69: Performance:        8.099        2.963
+69: Performance:      806.900        0.030
 69: 
 69: 
-69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/10 (179 ms)
+69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/10 (28 ms)
 69: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/11
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_11_input.mdp]:
@@ -172837,13 +172864,13 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.130        0.065      199.8
+69:        Time:        0.002        0.001      191.3
 69:                  (ns/day)    (hour/ns)
-69: Performance:       11.926        2.012
+69: Performance:      800.562        0.030
 69: 
 69: 
-69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/11 (126 ms)
-69: [----------] 12 tests from FreezeWorks/FreezeGroupTest (654 ms total)
+69: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/11 (28 ms)
+69: [----------] 12 tests from FreezeWorks/FreezeGroupTest (186 ms total)
 69: 
 69: [----------] 4 tests from AccelerationWorks/AccelerationGroupTest
 69: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/0
@@ -172889,7 +172916,7 @@
 69: 
 69: Excluding 2 bonded neighbours molecule type 'SOL'
 69: 
-69: Setting gen_seed to -1447826499
+69: Setting gen_seed to -85983497
 69: 
 69: Velocities were taken from a Maxwell distribution at 0 K
 69: 
@@ -172897,15 +172924,12 @@
 69: 
 69: Writing final coordinates.
 69: 
-69: NOTE: 12 % of the run time was spent in pair search,
-69:       you might want to increase nstlist (this has no effect on accuracy)
-69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.095        0.048      199.8
+69:        Time:        0.001        0.001      189.8
 69:                  (ns/day)    (hour/ns)
-69: Performance:       32.655        0.735
+69: Performance:     2587.458        0.009
 69: 
-69: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/0 (58 ms)
+69: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/0 (4 ms)
 69: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/1
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/AccelerationWorks_AccelerationGroupTest_WithinTolerances_1_input.mdp]:
@@ -172948,7 +172972,7 @@
 69: 
 69: Excluding 2 bonded neighbours molecule type 'SOL'
 69: 
-69: Setting gen_seed to 1474264606
+69: Setting gen_seed to -109089193
 69: 
 69: Velocities were taken from a Maxwell distribution at 0 K
 69: 
@@ -172956,15 +172980,12 @@
 69: 
 69: Writing final coordinates.
 69: 
-69: NOTE: 16 % of the run time was spent in pair search,
-69:       you might want to increase nstlist (this has no effect on accuracy)
-69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.071        0.035      199.7
+69:        Time:        0.001        0.001      189.9
 69:                  (ns/day)    (hour/ns)
-69: Performance:       44.011        0.545
+69: Performance:     2521.446        0.010
 69: 
-69: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/1 (42 ms)
+69: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/1 (4 ms)
 69: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/2
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/AccelerationWorks_AccelerationGroupTest_WithinTolerances_2_input.mdp]:
@@ -173008,7 +173029,7 @@
 69: 
 69: Excluding 2 bonded neighbours molecule type 'SOL'
 69: 
-69: Setting gen_seed to 2125299191
+69: Setting gen_seed to 1878502015
 69: 
 69: Velocities were taken from a Maxwell distribution at 0 K
 69: 
@@ -173016,15 +173037,12 @@
 69: 
 69: Writing final coordinates.
 69: 
-69: NOTE: 13 % of the run time was spent in pair search,
-69:       you might want to increase nstlist (this has no effect on accuracy)
-69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.090        0.045      199.8
+69:        Time:        0.001        0.001      190.0
 69:                  (ns/day)    (hour/ns)
-69: Performance:       34.598        0.694
+69: Performance:     2225.514        0.011
 69: 
-69: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/2 (52 ms)
+69: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/2 (4 ms)
 69: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/3
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/AccelerationWorks_AccelerationGroupTest_WithinTolerances_3_input.mdp]:
@@ -173067,7 +173085,7 @@
 69: 
 69: Excluding 2 bonded neighbours molecule type 'SOL'
 69: 
-69: Setting gen_seed to -990978690
+69: Setting gen_seed to 1055915231
 69: 
 69: Velocities were taken from a Maxwell distribution at 0 K
 69: 
@@ -173075,23 +173093,20 @@
 69: 
 69: Writing final coordinates.
 69: 
-69: NOTE: 13 % of the run time was spent in pair search,
-69:       you might want to increase nstlist (this has no effect on accuracy)
-69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.089        0.045      199.8
+69:        Time:        0.001        0.001      190.7
 69:                  (ns/day)    (hour/ns)
-69: Performance:       34.751        0.691
+69: Performance:     2253.189        0.011
 69: 
-69: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/3 (52 ms)
-69: [----------] 4 tests from AccelerationWorks/AccelerationGroupTest (207 ms total)
+69: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/3 (4 ms)
+69: [----------] 4 tests from AccelerationWorks/AccelerationGroupTest (18 ms total)
 69: 
 69: [----------] Global test environment tear-down
-69: [==========] 29 tests from 8 test suites ran. (4279 ms total)
+69: [==========] 29 tests from 8 test suites ran. (1835 ms total)
 69: [  PASSED  ] 28 tests.
 69: [  SKIPPED ] 1 test, listed below:
 69: [  SKIPPED ] FreezeWorks/FreezeGroupTest.WithinTolerances/5
-69/92 Test #69: MdrunTestsOneRank .........................   Passed    4.31 sec
+69/92 Test #69: MdrunTestsOneRank .........................   Passed    1.87 sec
 test 70
       Start 70: MdrunTestsTwoRanks
 
@@ -173142,7 +173157,7 @@
 70: SWAP: Channel 1 flux history for ion type CL- (charge -1): 0 molecules
 70: starting mdrun 'Channel_coco in octane membrane'
 70: 2 steps,      0.0 ps.
-70: Setting the LD random seed to -1554000898
+70: Setting the LD random seed to -69349401
 70: 
 70: Generated 330891 of the 330891 non-bonded parameter combinations
 70: 
@@ -173189,19 +173204,19 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 11.7%.
+70:  Average load imbalance: 8.6%.
 70:  The balanceable part of the MD step is 20%, load imbalance is computed from this.
-70:  Part of the total run time spent waiting due to load imbalance: 2.3%.
+70:  Part of the total run time spent waiting due to load imbalance: 1.7%.
 70: 
 70: 
-70: NOTE: 40 % of the run time was spent in domain decomposition,
-70:       9 % of the run time was spent in pair search,
+70: NOTE: 41 % of the run time was spent in domain decomposition,
+70:       8 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        4.304        1.092      394.2
+70:        Time:        4.128        1.048      393.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:        1.187       20.219
+70: Performance:        1.237       19.405
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/CompelTest_SwapCanRun.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 70: Overriding nsteps with value passed on the command line: 2 steps, 0.01 ps
 70: 
@@ -173226,15 +173241,15 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 13 % of the run time was spent in pair search,
+70: NOTE: 19 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.640        0.160      399.8
+70:        Time:        0.779        0.195      399.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:        8.093        2.966
-70: [       OK ] CompelTest.SwapCanRun (2599 ms)
-70: [----------] 1 test from CompelTest (2600 ms total)
+70: Performance:        6.650        3.609
+70: [       OK ] CompelTest.SwapCanRun (2626 ms)
+70: [----------] 1 test from CompelTest (2626 ms total)
 70: 
 70: [----------] 6 tests from BondedInteractionsTest
 70: [ RUN      ] BondedInteractionsTest.NormalBondWorks
@@ -173276,15 +173291,18 @@
 70: Reading frames from gro file 'A single butane', 4 atoms.
 70: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 70: 
-70: NOTE: 51 % of the run time was spent in domain decomposition,
-70:       22 % of the run time was spent in pair search,
+70: NOTE: 27 % of the run time was spent in domain decomposition,
+70:       12 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
+70: NOTE: 8 % of the run time was spent communicating energies,
+70:       you might want to increase some nst* mdp options
+70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.094        0.024      399.5
+70:        Time:        0.106        0.026      399.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:        3.664        6.550
-70: Setting the LD random seed to -114820865
+70: Performance:        3.262        7.357
+70: Setting the LD random seed to -1789137164
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -173293,7 +173311,7 @@
 70: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 70: 
 70: This run will generate roughly 0 Mb of data
-70: [       OK ] BondedInteractionsTest.NormalBondWorks (67 ms)
+70: [       OK ] BondedInteractionsTest.NormalBondWorks (66 ms)
 70: [ RUN      ] BondedInteractionsTest.TabulatedBondWorks
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedBondWorks_input.mdp]:
@@ -173333,15 +173351,15 @@
 70: Reading frames from gro file 'A single butane', 4 atoms.
 70: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 70: 
-70: NOTE: 20 % of the run time was spent in domain decomposition,
-70:       14 % of the run time was spent in pair search,
+70: NOTE: 40 % of the run time was spent in domain decomposition,
+70:       13 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.000      373.4
+70:        Time:        0.114        0.029      399.4
 70:                  (ns/day)    (hour/ns)
-70: Performance:      367.720        0.065
-70: Setting the LD random seed to -33554485
+70: Performance:        3.031        7.918
+70: Setting the LD random seed to -373819395
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -173350,7 +173368,7 @@
 70: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 70: 
 70: This run will generate roughly 0 Mb of data
-70: [       OK ] BondedInteractionsTest.TabulatedBondWorks (34 ms)
+70: [       OK ] BondedInteractionsTest.TabulatedBondWorks (76 ms)
 70: [ RUN      ] BondedInteractionsTest.NormalAngleWorks
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalAngleWorks_input.mdp]:
@@ -173390,18 +173408,15 @@
 70: Reading frames from gro file 'A single butane', 4 atoms.
 70: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 70: 
-70: NOTE: 27 % of the run time was spent in domain decomposition,
-70:       15 % of the run time was spent in pair search,
+70: NOTE: 56 % of the run time was spent in domain decomposition,
+70:       19 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
-70: NOTE: 24 % of the run time was spent communicating energies,
-70:       you might want to increase some nst* mdp options
-70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.202        0.053      384.6
+70:        Time:        0.109        0.027      399.4
 70:                  (ns/day)    (hour/ns)
-70: Performance:        1.644       14.602
-70: Setting the LD random seed to 2004344283
+70: Performance:        3.167        7.578
+70: Setting the LD random seed to -24154129
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -173410,7 +173425,7 @@
 70: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 70: 
 70: This run will generate roughly 0 Mb of data
-70: [       OK ] BondedInteractionsTest.NormalAngleWorks (91 ms)
+70: [       OK ] BondedInteractionsTest.NormalAngleWorks (95 ms)
 70: [ RUN      ] BondedInteractionsTest.TabulatedAngleWorks
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedAngleWorks_input.mdp]:
@@ -173450,15 +173465,15 @@
 70: Reading frames from gro file 'A single butane', 4 atoms.
 70: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 70: 
-70: NOTE: 18 % of the run time was spent in domain decomposition,
-70:       13 % of the run time was spent in pair search,
+70: NOTE: 90 % of the run time was spent in domain decomposition,
+70:       2 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.000      374.4
+70:        Time:        0.721        0.180      399.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:      386.135        0.062
-70: Setting the LD random seed to 1039655919
+70: Performance:        0.480       50.049
+70: Setting the LD random seed to 1966267114
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -173467,7 +173482,7 @@
 70: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 70: 
 70: This run will generate roughly 0 Mb of data
-70: [       OK ] BondedInteractionsTest.TabulatedAngleWorks (32 ms)
+70: [       OK ] BondedInteractionsTest.TabulatedAngleWorks (728 ms)
 70: [ RUN      ] BondedInteractionsTest.NormalDihedralWorks
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalDihedralWorks_input.mdp]:
@@ -173507,15 +173522,18 @@
 70: Reading frames from gro file 'A single butane', 4 atoms.
 70: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 70: 
-70: NOTE: 14 % of the run time was spent in domain decomposition,
-70:       8 % of the run time was spent in pair search,
+70: NOTE: 77 % of the run time was spent in domain decomposition,
+70:       5 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
+70: NOTE: 6 % of the run time was spent communicating energies,
+70:       you might want to increase some nst* mdp options
+70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.000      380.2
+70:        Time:        0.948        0.249      380.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:      247.279        0.097
-70: Setting the LD random seed to -1458209
+70: Performance:        0.347       69.110
+70: Setting the LD random seed to -136855681
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -173524,7 +173542,7 @@
 70: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 70: 
 70: This run will generate roughly 0 Mb of data
-70: [       OK ] BondedInteractionsTest.NormalDihedralWorks (10 ms)
+70: [       OK ] BondedInteractionsTest.NormalDihedralWorks (717 ms)
 70: [ RUN      ] BondedInteractionsTest.TabulatedDihedralWorks
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedDihedralWorks_input.mdp]:
@@ -173564,15 +173582,15 @@
 70: Reading frames from gro file 'A single butane', 4 atoms.
 70: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 70: 
-70: NOTE: 15 % of the run time was spent in domain decomposition,
-70:       7 % of the run time was spent in pair search,
+70: NOTE: 35 % of the run time was spent in domain decomposition,
+70:       29 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.000      382.4
+70:        Time:        0.149        0.037      398.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:      187.087        0.128
-70: Setting the LD random seed to -234893346
+70: Performance:        2.314       10.373
+70: Setting the LD random seed to -7277073
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -173581,8 +173599,8 @@
 70: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 70: 
 70: This run will generate roughly 0 Mb of data
-70: [       OK ] BondedInteractionsTest.TabulatedDihedralWorks (56 ms)
-70: [----------] 6 tests from BondedInteractionsTest (292 ms total)
+70: [       OK ] BondedInteractionsTest.TabulatedDihedralWorks (76 ms)
+70: [----------] 6 tests from BondedInteractionsTest (1763 ms total)
 70: 
 70: [----------] 2 tests from BoxDeformationTest
 70: [ RUN      ] BoxDeformationTest.flowDoesNotAffectEkin
@@ -173617,27 +173635,27 @@
 70: starting mdrun 'Argon'
 70: 0 steps,      0.0 ps.
 70: 
-70: NOTE: 39 % of the run time was spent in domain decomposition,
-70:       15 % of the run time was spent in pair search,
+70: NOTE: 27 % of the run time was spent in domain decomposition,
+70:       16 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.000      310.4
+70:        Time:        0.124        0.031      393.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:      758.530        0.032
+70: Performance:        5.508        4.357
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_flowDoesNotAffectEkin.edr as double precision energy file
-70: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -75597885
+70: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -1109441385
 70: 
 70: Generated 1 of the 1 non-bonded parameter combinations
 70: 
 70: Excluding 1 bonded neighbours molecule type 'Argon'
 70: 
-70: Setting gen_seed to -1258291278
+70: Setting gen_seed to -412123793
 70: 
 70: Velocities were taken from a Maxwell distribution at 0 K
 70: 
 70: This run will generate roughly 0 Mb of data
-70: [       OK ] BoxDeformationTest.flowDoesNotAffectEkin (25 ms)
+70: [       OK ] BoxDeformationTest.flowDoesNotAffectEkin (86 ms)
 70: [ RUN      ] BoxDeformationTest.EnergiesWithinTolerances
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_EnergiesWithinTolerances_input.mdp]:
@@ -173665,7 +173683,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'spc2'
 70: 20 steps,      0.0 ps.
-70: Setting the LD random seed to 2136858367
+70: Setting the LD random seed to 1504672039
 70: 
 70: Generated 330891 of the 330891 non-bonded parameter combinations
 70: 
@@ -173688,22 +173706,18 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 0.8%.
-70:  The balanceable part of the MD step is 8%, load imbalance is computed from this.
+70:  Average load imbalance: 0.3%.
+70:  The balanceable part of the MD step is 28%, load imbalance is computed from this.
 70:  Part of the total run time spent waiting due to load imbalance: 0.1%.
 70: 
 70: 
-70: NOTE: 17 % of the run time was spent in domain decomposition,
-70:       1 % of the run time was spent in pair search,
-70:       you might want to increase nstlist (this has no effect on accuracy)
-70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.532        0.133      399.8
+70:        Time:        0.859        0.215      399.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:       27.278        0.880
+70: Performance:       16.892        1.421
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_EnergiesWithinTolerances.edr as double precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Reading energy frame      2 time    0.040         
Last energy frame read 2 time    0.040         [       OK ] BoxDeformationTest.EnergiesWithinTolerances (655 ms)
-70: [----------] 2 tests from BoxDeformationTest (686 ms total)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Reading energy frame      2 time    0.040         
Last energy frame read 2 time    0.040         [       OK ] BoxDeformationTest.EnergiesWithinTolerances (511 ms)
+70: [----------] 2 tests from BoxDeformationTest (601 ms total)
 70: 
 70: [----------] 1 test from PositionRestraintCommTest
 70: [ RUN      ] PositionRestraintCommTest.PositionRestraintsTwoCOMs
@@ -173752,7 +173766,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'Channel_coco in octane membrane'
 70: 10 steps,      0.0 ps.
-70: Setting the LD random seed to -537559237
+70: Setting the LD random seed to -8423943
 70: 
 70: Generated 330891 of the 330891 non-bonded parameter combinations
 70: 
@@ -173795,12 +173809,12 @@
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        1.484        0.371      399.9
+70:        Time:        0.760        0.190      399.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:        5.123        4.685
+70: Performance:        9.994        2.402
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PositionRestraintCommTest_PositionRestraintsTwoCOMs.edr as double precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Last energy frame read 1 time    0.020         [       OK ] PositionRestraintCommTest.PositionRestraintsTwoCOMs (965 ms)
-70: [----------] 1 test from PositionRestraintCommTest (969 ms total)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Last energy frame read 1 time    0.020         [       OK ] PositionRestraintCommTest.PositionRestraintsTwoCOMs (487 ms)
+70: [----------] 1 test from PositionRestraintCommTest (488 ms total)
 70: 
 70: [----------] 2 tests from MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest
 70: [ RUN      ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/0
@@ -173838,7 +173852,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'UNNAMED in water'
 70: 4 steps,      0.0 ps.
-70: Setting the LD random seed to 1518337782
+70: Setting the LD random seed to -27865123
 70: 
 70: Generated 2211 of the 2211 non-bonded parameter combinations
 70: 
@@ -173860,17 +173874,13 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 15 % of the run time was spent in domain decomposition,
-70:       2 % of the run time was spent in pair search,
-70:       you might want to increase nstlist (this has no effect on accuracy)
-70: 
-70: NOTE: 6 % of the run time was spent communicating energies,
+70: NOTE: 15 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        1.775        0.460      386.1
+70:        Time:        0.007        0.002      387.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:        0.940       25.542
+70: Performance:      234.116        0.103
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_input.mdp]:
 70:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
@@ -173905,7 +173915,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'UNNAMED in water'
 70: 4 steps,      0.0 ps.
-70: Setting the LD random seed to -1119907410
+70: Setting the LD random seed to 1996438527
 70: 
 70: Generated 2211 of the 2211 non-bonded parameter combinations
 70: 
@@ -173927,13 +173937,14 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 71 % of the run time was spent communicating energies,
-70:       you might want to increase some nst* mdp options
+70: NOTE: 13 % of the run time was spent in domain decomposition,
+70:       4 % of the run time was spent in pair search,
+70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.084        0.031      271.8
+70:        Time:        0.230        0.057      399.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:       13.909        1.726
+70: Performance:        7.518        3.193
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim1.edr as double precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim2.edr as double precision energy file
 70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         trr version: GMX_trn_file (double precision)
@@ -173941,7 +173952,7 @@
 70: 
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim1.edr as double precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim2.edr as double precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/0 (1354 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/0 (111 ms)
 70: [ RUN      ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/1
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_input.mdp]:
@@ -173977,7 +173988,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'UNNAMED in water'
 70: 4 steps,      0.0 ps.
-70: Setting the LD random seed to -11797571
+70: Setting the LD random seed to 2129919933
 70: 
 70: Generated 2211 of the 2211 non-bonded parameter combinations
 70: 
@@ -173999,17 +174010,14 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 75 % of the run time was spent in domain decomposition,
-70:       0 % of the run time was spent in pair search,
+70: NOTE: 12 % of the run time was spent in domain decomposition,
+70:       8 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
-70: NOTE: 7 % of the run time was spent communicating energies,
-70:       you might want to increase some nst* mdp options
-70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.041        0.010      397.5
+70:        Time:        0.263        0.066      399.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:       41.401        0.580
+70: Performance:        6.559        3.659
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_input.mdp]:
 70:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
@@ -174046,7 +174054,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'UNNAMED in water'
 70: 4 steps,      0.0 ps.
-70: Setting the LD random seed to 2076172255
+70: Setting the LD random seed to -119537665
 70: 
 70: Generated 2211 of the 2211 non-bonded parameter combinations
 70: 
@@ -174068,21 +174076,25 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 73 % of the run time was spent communicating energies,
+70: NOTE: 10 % of the run time was spent in domain decomposition,
+70:       0 % of the run time was spent in pair search,
+70:       you might want to increase nstlist (this has no effect on accuracy)
+70: 
+70: NOTE: 7 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.079        0.022      363.2
+70:        Time:        0.042        0.011      397.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:       19.980        1.201
+70: Performance:       40.498        0.593
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim1.edr as double precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim2.edr as double precision energy file
 70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
 70: 
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim1.edr as double precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim2.edr as double precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/1 (149 ms)
-70: [----------] 2 tests from MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest (1504 ms total)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/1 (128 ms)
+70: [----------] 2 tests from MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest (239 ms total)
 70: 
 70: [----------] 1 test from MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest
 70: [ RUN      ] MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest.WithinTolerances/0
@@ -174113,7 +174125,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'spc2'
 70: 4 steps,      0.0 ps.
-70: Setting the LD random seed to 1531833853
+70: Setting the LD random seed to -1950688809
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -174129,17 +174141,14 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 11 % of the run time was spent in domain decomposition,
-70:       2 % of the run time was spent in pair search,
+70: NOTE: 21 % of the run time was spent in domain decomposition,
+70:       15 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
-70: NOTE: 37 % of the run time was spent communicating energies,
-70:       you might want to increase some nst* mdp options
-70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.006        0.002      384.6
+70:        Time:        0.135        0.034      399.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:      258.867        0.093
+70: Performance:       12.797        1.875
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_input.mdp]:
 70:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
@@ -174169,7 +174178,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'spc2'
 70: 4 steps,      0.0 ps.
-70: Setting the LD random seed to -138544651
+70: Setting the LD random seed to -899818039
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -174185,25 +174194,25 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 31 % of the run time was spent in domain decomposition,
-70:       5 % of the run time was spent in pair search,
+70: NOTE: 17 % of the run time was spent in domain decomposition,
+70:       6 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
-70: NOTE: 10 % of the run time was spent communicating energies,
+70: NOTE: 6 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.361        0.090      399.7
+70:        Time:        0.144        0.036      399.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:        4.782        5.019
+70: Performance:       12.010        1.998
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim1.edr as double precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim2.edr as double precision energy file
 70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
 70: 
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim1.edr as double precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim2.edr as double precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest.WithinTolerances/0 (179 ms)
-70: [----------] 1 test from MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest (179 ms total)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest.WithinTolerances/0 (106 ms)
+70: [----------] 1 test from MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest (106 ms total)
 70: 
 70: [----------] 12 tests from FreezeWorks/FreezeGroupTest
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/0
@@ -174284,22 +174293,25 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 10.4%.
-70:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
-70:  Part of the total run time spent waiting due to load imbalance: 4.6%.
+70:  Average load imbalance: 0.0%.
+70:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+70:  Part of the total run time spent waiting due to load imbalance: 0.0%.
 70: 
 70: 
-70: NOTE: 34 % of the run time was spent in domain decomposition,
-70:       3 % of the run time was spent in pair search,
+70: NOTE: 21 % of the run time was spent in domain decomposition,
+70:       4 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
+70: NOTE: 6 % of the run time was spent communicating energies,
+70:       you might want to increase some nst* mdp options
+70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.543        0.144      378.1
+70:        Time:        0.242        0.061      399.0
 70:                  (ns/day)    (hour/ns)
-70: Performance:        5.409        4.437
+70: Performance:       12.814        1.873
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/0 (209 ms)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/0 (82 ms)
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/1
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_1_input.mdp]:
@@ -174377,31 +174389,27 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 16.9%.
-70:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
-70:  Part of the total run time spent waiting due to load imbalance: 7.4%.
+70:  Average load imbalance: 22.3%.
+70:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
+70:  Part of the total run time spent waiting due to load imbalance: 9.2%.
 70: 
-70: NOTE: 7.4 % of the available CPU time was lost due to load imbalance
+70: NOTE: 9.2 % of the available CPU time was lost due to load imbalance
 70:       in the domain decomposition.
 70:       Dynamic load balancing was automatically disabled, but it might be beneficial to manually turn it on (option -dlb yes.)
 70:       You can also consider manually changing the decomposition (option -dd);
 70:       e.g. by using fewer domains along the box dimension in which there is
 70:       considerable inhomogeneity in the simulated system.
 70: 
-70: NOTE: 26 % of the run time was spent in domain decomposition,
-70:       9 % of the run time was spent in pair search,
-70:       you might want to increase nstlist (this has no effect on accuracy)
-70: 
-70: NOTE: 7 % of the run time was spent communicating energies,
+70: NOTE: 17 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.342        0.086      399.1
+70:        Time:        0.007        0.002      292.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:        9.066        2.647
+70: Performance:      340.164        0.071
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/1 (134 ms)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/1 (13 ms)
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/2
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_2_input.mdp]:
@@ -174480,22 +174488,27 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 8.8%.
+70:  Average load imbalance: 24.6%.
 70:  The balanceable part of the MD step is 39%, load imbalance is computed from this.
-70:  Part of the total run time spent waiting due to load imbalance: 3.4%.
+70:  Part of the total run time spent waiting due to load imbalance: 9.7%.
 70: 
+70: NOTE: 9.7 % of the available CPU time was lost due to load imbalance
+70:       in the domain decomposition.
+70:       Dynamic load balancing was automatically disabled, but it might be beneficial to manually turn it on (option -dlb yes.)
+70:       You can also consider manually changing the decomposition (option -dd);
+70:       e.g. by using fewer domains along the box dimension in which there is
+70:       considerable inhomogeneity in the simulated system.
 70: 
-70: NOTE: 22 % of the run time was spent in domain decomposition,
-70:       8 % of the run time was spent in pair search,
-70:       you might want to increase nstlist (this has no effect on accuracy)
+70: NOTE: 35 % of the run time was spent communicating energies,
+70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.399        0.100      398.6
+70:        Time:        0.015        0.004      389.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:        7.765        3.091
+70: Performance:      202.144        0.119
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/2 (147 ms)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/2 (19 ms)
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/3
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_3_input.mdp]:
@@ -174574,31 +174587,27 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 18.6%.
-70:  The balanceable part of the MD step is 31%, load imbalance is computed from this.
-70:  Part of the total run time spent waiting due to load imbalance: 5.8%.
+70:  Average load imbalance: 18.1%.
+70:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
+70:  Part of the total run time spent waiting due to load imbalance: 8.2%.
 70: 
-70: NOTE: 5.8 % of the available CPU time was lost due to load imbalance
+70: NOTE: 8.2 % of the available CPU time was lost due to load imbalance
 70:       in the domain decomposition.
 70:       Dynamic load balancing was automatically disabled, but it might be beneficial to manually turn it on (option -dlb yes.)
 70:       You can also consider manually changing the decomposition (option -dd);
 70:       e.g. by using fewer domains along the box dimension in which there is
 70:       considerable inhomogeneity in the simulated system.
 70: 
-70: NOTE: 22 % of the run time was spent in domain decomposition,
-70:       4 % of the run time was spent in pair search,
-70:       you might want to increase nstlist (this has no effect on accuracy)
-70: 
-70: NOTE: 22 % of the run time was spent communicating energies,
+70: NOTE: 33 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.006        0.002      384.9
+70:        Time:        0.007        0.002      385.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:      517.286        0.046
+70: Performance:      460.337        0.052
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/3 (62 ms)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/3 (12 ms)
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/4
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_4_input.mdp]:
@@ -174676,31 +174685,27 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 9.5%.
-70:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
-70:  Part of the total run time spent waiting due to load imbalance: 5.1%.
+70:  Average load imbalance: 19.9%.
+70:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
+70:  Part of the total run time spent waiting due to load imbalance: 9.0%.
 70: 
-70: NOTE: 5.1 % of the available CPU time was lost due to load imbalance
+70: NOTE: 9.0 % of the available CPU time was lost due to load imbalance
 70:       in the domain decomposition.
 70:       Dynamic load balancing was automatically disabled, but it might be beneficial to manually turn it on (option -dlb yes.)
 70:       You can also consider manually changing the decomposition (option -dd);
 70:       e.g. by using fewer domains along the box dimension in which there is
 70:       considerable inhomogeneity in the simulated system.
 70: 
-70: NOTE: 12 % of the run time was spent in domain decomposition,
-70:       3 % of the run time was spent in pair search,
-70:       you might want to increase nstlist (this has no effect on accuracy)
-70: 
-70: NOTE: 36 % of the run time was spent communicating energies,
+70: NOTE: 23 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        2.937        0.750      391.7
+70:        Time:        0.004        0.001      383.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:        1.037       23.141
+70: Performance:      676.307        0.035
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/4 (1442 ms)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/4 (11 ms)
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/5
 70: ./src/programs/mdrun/tests/freezegroups.cpp:209: Skipped
 70: Parrinello-Rahman is not implemented in md-vv.
@@ -174775,20 +174780,20 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 18 % of the run time was spent in domain decomposition,
-70:       2 % of the run time was spent in pair search,
+70: NOTE: 11 % of the run time was spent in domain decomposition,
+70:       3 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
-70: NOTE: 10 % of the run time was spent communicating energies,
+70: NOTE: 19 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.391        0.098      398.1
+70:        Time:        0.005        0.001      369.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:        7.927        3.028
+70: Performance:      590.957        0.041
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/6 (166 ms)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/6 (26 ms)
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/7
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_7_input.mdp]:
@@ -174859,13 +174864,16 @@
 70: 
 70: Writing final coordinates.
 70: 
+70: NOTE: 21 % of the run time was spent communicating energies,
+70:       you might want to increase some nst* mdp options
+70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.284        0.072      396.3
+70:        Time:        0.004        0.001      387.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:       10.832        2.216
+70: Performance:      746.080        0.032
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/7 (104 ms)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/7 (16 ms)
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/8
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_8_input.mdp]:
@@ -174936,17 +174944,16 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 11 % of the run time was spent in domain decomposition,
-70:       3 % of the run time was spent in pair search,
-70:       you might want to increase nstlist (this has no effect on accuracy)
+70: NOTE: 17 % of the run time was spent communicating energies,
+70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.317        0.079      399.6
+70:        Time:        0.005        0.002      311.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:        9.794        2.450
+70: Performance:      444.921        0.054
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/8 (125 ms)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/8 (15 ms)
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/9
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_9_input.mdp]:
@@ -175015,17 +175022,16 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 14 % of the run time was spent in domain decomposition,
-70:       5 % of the run time was spent in pair search,
-70:       you might want to increase nstlist (this has no effect on accuracy)
+70: NOTE: 22 % of the run time was spent communicating energies,
+70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.352        0.088      399.8
+70:        Time:        0.004        0.001      383.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:        8.826        2.719
+70: Performance:      723.249        0.033
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/9 (190 ms)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/9 (37 ms)
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/10
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_10_input.mdp]:
@@ -175094,20 +175100,16 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 12 % of the run time was spent in domain decomposition,
-70:       0 % of the run time was spent in pair search,
-70:       you might want to increase nstlist (this has no effect on accuracy)
-70: 
-70: NOTE: 27 % of the run time was spent communicating energies,
+70: NOTE: 15 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.035        0.012      290.8
+70:        Time:        0.008        0.002      389.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:       63.959        0.375
+70: Performance:      396.630        0.061
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/10 (126 ms)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/10 (37 ms)
 70: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/11
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_11_input.mdp]:
@@ -175176,17 +175178,17 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 39 % of the run time was spent communicating energies,
+70: NOTE: 21 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.011        0.003      392.7
+70:        Time:        0.005        0.001      386.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:      266.800        0.090
+70: Performance:      569.494        0.042
 70: 
 70: 
-70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/11 (73 ms)
-70: [----------] 12 tests from FreezeWorks/FreezeGroupTest (2793 ms total)
+70: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/11 (59 ms)
+70: [----------] 12 tests from FreezeWorks/FreezeGroupTest (332 ms total)
 70: 
 70: [----------] 4 tests from AccelerationWorks/AccelerationGroupTest
 70: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/0
@@ -175232,7 +175234,7 @@
 70: 
 70: Excluding 2 bonded neighbours molecule type 'SOL'
 70: 
-70: Setting gen_seed to 391640465
+70: Setting gen_seed to -1760301057
 70: 
 70: Velocities were taken from a Maxwell distribution at 0 K
 70: 
@@ -175243,21 +175245,24 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 9.2%.
-70:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
-70:  Part of the total run time spent waiting due to load imbalance: 4.7%.
+70:  Average load imbalance: 7.8%.
+70:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
+70:  Part of the total run time spent waiting due to load imbalance: 3.3%.
 70: 
 70: 
-70: NOTE: 23 % of the run time was spent in domain decomposition,
-70:       11 % of the run time was spent in pair search,
+70: NOTE: 14 % of the run time was spent in domain decomposition,
+70:       8 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
+70: NOTE: 21 % of the run time was spent communicating energies,
+70:       you might want to increase some nst* mdp options
+70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.471        0.118      399.7
+70:        Time:        0.003        0.001      382.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:       13.203        1.818
+70: Performance:     1748.554        0.014
 70: 
-70: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/0 (162 ms)
+70: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/0 (5 ms)
 70: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/1
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/AccelerationWorks_AccelerationGroupTest_WithinTolerances_1_input.mdp]:
@@ -175300,7 +175305,7 @@
 70: 
 70: Excluding 2 bonded neighbours molecule type 'SOL'
 70: 
-70: Setting gen_seed to -1632796742
+70: Setting gen_seed to -536873603
 70: 
 70: Velocities were taken from a Maxwell distribution at 0 K
 70: 
@@ -175311,24 +175316,24 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 4.8%.
-70:  The balanceable part of the MD step is 33%, load imbalance is computed from this.
-70:  Part of the total run time spent waiting due to load imbalance: 1.6%.
+70:  Average load imbalance: 0.9%.
+70:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
+70:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 70: 
 70: 
-70: NOTE: 21 % of the run time was spent in domain decomposition,
-70:       3 % of the run time was spent in pair search,
+70: NOTE: 13 % of the run time was spent in domain decomposition,
+70:       8 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
-70: NOTE: 14 % of the run time was spent communicating energies,
+70: NOTE: 23 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        1.583        0.412      384.5
+70:        Time:        0.003        0.001      378.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:        3.778        6.353
+70: Performance:     2105.206        0.011
 70: 
-70: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/1 (1214 ms)
+70: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/1 (5 ms)
 70: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/2
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/AccelerationWorks_AccelerationGroupTest_WithinTolerances_2_input.mdp]:
@@ -175372,7 +175377,7 @@
 70: 
 70: Excluding 2 bonded neighbours molecule type 'SOL'
 70: 
-70: Setting gen_seed to -537158950
+70: Setting gen_seed to -1212156417
 70: 
 70: Velocities were taken from a Maxwell distribution at 0 K
 70: 
@@ -175383,30 +175388,24 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 18.6%.
-70:  The balanceable part of the MD step is 36%, load imbalance is computed from this.
-70:  Part of the total run time spent waiting due to load imbalance: 6.6%.
+70:  Average load imbalance: 7.4%.
+70:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+70:  Part of the total run time spent waiting due to load imbalance: 3.2%.
 70: 
-70: NOTE: 6.6 % of the available CPU time was lost due to load imbalance
-70:       in the domain decomposition.
-70:       Dynamic load balancing was automatically disabled, but it might be beneficial to manually turn it on (option -dlb yes.)
-70:       You can also consider manually changing the decomposition (option -dd);
-70:       e.g. by using fewer domains along the box dimension in which there is
-70:       considerable inhomogeneity in the simulated system.
 70: 
-70: NOTE: 11 % of the run time was spent in domain decomposition,
-70:       4 % of the run time was spent in pair search,
+70: NOTE: 14 % of the run time was spent in domain decomposition,
+70:       7 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
-70: NOTE: 7 % of the run time was spent communicating energies,
+70: NOTE: 20 % of the run time was spent communicating energies,
 70:       you might want to increase some nst* mdp options
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.529        0.132      399.8
+70:        Time:        0.004        0.001      384.0
 70:                  (ns/day)    (hour/ns)
-70: Performance:       11.758        2.041
+70: Performance:     1562.952        0.015
 70: 
-70: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/2 (695 ms)
+70: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/2 (6 ms)
 70: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/3
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/AccelerationWorks_AccelerationGroupTest_WithinTolerances_3_input.mdp]:
@@ -175449,7 +175448,7 @@
 70: 
 70: Excluding 2 bonded neighbours molecule type 'SOL'
 70: 
-70: Setting gen_seed to -134240385
+70: Setting gen_seed to 2130182135
 70: 
 70: Velocities were taken from a Maxwell distribution at 0 K
 70: 
@@ -175460,29 +175459,32 @@
 70: 
 70: Dynamic load balancing report:
 70:  DLB was off during the run due to low measured imbalance.
-70:  Average load imbalance: 3.6%.
-70:  The balanceable part of the MD step is 58%, load imbalance is computed from this.
-70:  Part of the total run time spent waiting due to load imbalance: 2.1%.
+70:  Average load imbalance: 9.9%.
+70:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+70:  Part of the total run time spent waiting due to load imbalance: 4.6%.
 70: 
 70: 
 70: NOTE: 12 % of the run time was spent in domain decomposition,
-70:       11 % of the run time was spent in pair search,
+70:       6 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
+70: NOTE: 20 % of the run time was spent communicating energies,
+70:       you might want to increase some nst* mdp options
+70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.639        0.160      399.9
+70:        Time:        0.004        0.001      374.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:        9.728        2.467
+70: Performance:     1490.967        0.016
 70: 
-70: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/3 (208 ms)
-70: [----------] 4 tests from AccelerationWorks/AccelerationGroupTest (2282 ms total)
+70: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/3 (6 ms)
+70: [----------] 4 tests from AccelerationWorks/AccelerationGroupTest (24 ms total)
 70: 
 70: [----------] Global test environment tear-down
-70: [==========] 29 tests from 8 test suites ran. (11380 ms total)
+70: [==========] 29 tests from 8 test suites ran. (6253 ms total)
 70: [  PASSED  ] 28 tests.
 70: [  SKIPPED ] 1 test, listed below:
 70: [  SKIPPED ] FreezeWorks/FreezeGroupTest.WithinTolerances/5
-70/92 Test #70: MdrunTestsTwoRanks ........................   Passed   11.42 sec
+70/92 Test #70: MdrunTestsTwoRanks ........................   Passed    6.29 sec
 test 71
       Start 71: MdrunSingleRankAlgorithmsTests
 
@@ -175524,7 +175526,7 @@
 71:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 71: starting mdrun 'Alanine dipeptide in vacuo'
 71: 200 steps,      0.4 ps.
-71: Setting the LD random seed to -1075063042
+71: Setting the LD random seed to -2098195
 71: 
 71: Generated 2145 of the 2145 non-bonded parameter combinations
 71: 
@@ -175559,11 +175561,11 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.030        0.015      199.4
+71:        Time:        0.022        0.011      199.2
 71:                  (ns/day)    (hour/ns)
-71: Performance:     2323.703        0.010
-71: [       OK ] DispersionCorrectionTest.DispersionCorrectionCanRun (58 ms)
-71: [----------] 1 test from DispersionCorrectionTest (61 ms total)
+71: Performance:     3179.465        0.008
+71: [       OK ] DispersionCorrectionTest.DispersionCorrectionCanRun (37 ms)
+71: [----------] 1 test from DispersionCorrectionTest (37 ms total)
 71: 
 71: [----------] 1 test from OriresTest
 71: [ RUN      ] OriresTest.OriresCanRun
@@ -175592,7 +175594,7 @@
 71:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 71: starting mdrun 'GUANINE NUCLEOTIDE-BINDING PROTEIN G(T), ALPHA-1'
 71: 10 steps,      0.0 ps.
-71: Setting the LD random seed to -6291475
+71: Setting the LD random seed to 1050603294
 71: 
 71: Generated 2145 of the 2145 non-bonded parameter combinations
 71: 
@@ -175621,11 +175623,11 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.112        0.056      199.8
+71:        Time:        0.010        0.005      198.0
 71:                  (ns/day)    (hour/ns)
-71: Performance:       33.911        0.708
-71: [       OK ] OriresTest.OriresCanRun (577 ms)
-71: [----------] 1 test from OriresTest (577 ms total)
+71: Performance:      372.879        0.064
+71: [       OK ] OriresTest.OriresCanRun (303 ms)
+71: [----------] 1 test from OriresTest (303 ms total)
 71: 
 71: [----------] 3 tests from EwaldSurfaceTerm/EwaldSurfaceTermTest
 71: [ RUN      ] EwaldSurfaceTerm/EwaldSurfaceTermTest.WithinTolerances/0
@@ -175657,7 +175659,7 @@
 71:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 71: starting mdrun 'Dipoles'
 71: 20 steps,      0.1 ps.
-71: Setting the LD random seed to -55148617
+71: Setting the LD random seed to 402319292
 71: 
 71: Generated 1 of the 1 non-bonded parameter combinations
 71: 
@@ -175678,13 +175680,13 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.537        0.268      200.0
+71:        Time:        0.029        0.015      199.4
 71:                  (ns/day)    (hour/ns)
-71: Performance:       16.902        1.420
+71: Performance:      310.638        0.077
 71: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/EwaldSurfaceTerm_EwaldSurfaceTermTest_WithinTolerances_0.edr as double precision energy file
 71: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.010         
Reading energy frame      2 time    0.020         
Reading energy frame      3 time    0.030         
Reading energy frame      4 time    0.040         
Reading energy frame      5 time    0.050         
Last energy frame read 5 time    0.050         trr version: GMX_trn_file (double precision)
 71: 
-71: [       OK ] EwaldSurfaceTerm/EwaldSurfaceTermTest.WithinTolerances/0 (314 ms)
+71: [       OK ] EwaldSurfaceTerm/EwaldSurfaceTermTest.WithinTolerances/0 (28 ms)
 71: [ RUN      ] EwaldSurfaceTerm/EwaldSurfaceTermTest.WithinTolerances/1
 71: Test system 'epsilon-surface-constraint' cannot run with 1 ranks.
 71: The supported numbers are > 1.
@@ -175728,7 +175730,7 @@
 71:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 71: starting mdrun 'Dipoles'
 71: 20 steps,      0.1 ps.
-71: Setting the LD random seed to 1602152418
+71: Setting the LD random seed to -1216388099
 71: 
 71: Generated 1 of the 1 non-bonded parameter combinations
 71: 
@@ -175747,18 +175749,18 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.419        0.209      199.9
+71:        Time:        0.014        0.007      198.9
 71:                  (ns/day)    (hour/ns)
-71: Performance:       21.657        1.108
+71: Performance:      642.901        0.037
 71: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/EwaldSurfaceTerm_EwaldSurfaceTermTest_WithinTolerances_2.edr as double precision energy file
 71: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.010         
Reading energy frame      2 time    0.020         
Reading energy frame      3 time    0.030         
Reading energy frame      4 time    0.040         
Reading energy frame      5 time    0.050         
Last energy frame read 5 time    0.050         
-71: [       OK ] EwaldSurfaceTerm/EwaldSurfaceTermTest.WithinTolerances/2 (238 ms)
-71: [----------] 3 tests from EwaldSurfaceTerm/EwaldSurfaceTermTest (553 ms total)
+71: [       OK ] EwaldSurfaceTerm/EwaldSurfaceTermTest.WithinTolerances/2 (15 ms)
+71: [----------] 3 tests from EwaldSurfaceTerm/EwaldSurfaceTermTest (43 ms total)
 71: 
 71: [----------] Global test environment tear-down
-71: [==========] 5 tests from 3 test suites ran. (1218 ms total)
+71: [==========] 5 tests from 3 test suites ran. (406 ms total)
 71: [  PASSED  ] 5 tests.
-71/92 Test #71: MdrunSingleRankAlgorithmsTests ............   Passed    1.25 sec
+71/92 Test #71: MdrunSingleRankAlgorithmsTests ............   Passed    0.42 sec
 test 72
       Start 72: Minimize1RankTests
 
@@ -175829,7 +175831,7 @@
 72: Excluding 2 bonded neighbours molecule type 'SOL'
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (792 ms)
+72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (227 ms)
 72: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
@@ -175894,7 +175896,7 @@
 72: Excluding 2 bonded neighbours molecule type 'SOL'
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (705 ms)
+72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (210 ms)
 72: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
@@ -175959,7 +175961,7 @@
 72: turning H bonds into constraints...
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (128 ms)
+72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (57 ms)
 72: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]:
@@ -176031,7 +176033,7 @@
 72: turning H bonds into constraints...
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (173 ms)
+72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (56 ms)
 72: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]:
@@ -176112,7 +176114,7 @@
 72: Converted   15      Constraints with virtual sites to connections, 7 left
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (149 ms)
+72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (9 ms)
 72: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]:
@@ -176200,8 +176202,8 @@
 72: Converted   15      Constraints with virtual sites to connections, 7 left
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (203 ms)
-72: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (2153 ms total)
+72: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (9 ms)
+72: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (570 ms total)
 72: 
 72: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest
 72: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0
@@ -176253,7 +176255,7 @@
 72: Excluding 1 bonded neighbours molecule type 'Argon'
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (23 ms)
+72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (3 ms)
 72: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
@@ -176306,7 +176308,7 @@
 72: Excluding 1 bonded neighbours molecule type 'Argon'
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 (24 ms)
+72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 (3 ms)
 72: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
@@ -176369,7 +176371,7 @@
 72: Excluding 1 bonded neighbours molecule type 'Argon'
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (21 ms)
+72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (3 ms)
 72: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_input.mdp]:
@@ -176432,7 +176434,7 @@
 72: Excluding 3 bonded neighbours molecule type 'Glycine'
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (125 ms)
+72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (56 ms)
 72: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]:
@@ -176498,7 +176500,7 @@
 72: Excluding 3 bonded neighbours molecule type 'Glycine'
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (146 ms)
+72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (55 ms)
 72: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]:
@@ -176579,13 +176581,13 @@
 72: Excluding 3 bonded neighbours molecule type 'Glycine'
 72: 
 72: This run will generate roughly 0 Mb of data
-72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (159 ms)
-72: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (501 ms total)
+72: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (55 ms)
+72: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (179 ms total)
 72: 
 72: [----------] Global test environment tear-down
-72: [==========] 12 tests from 2 test suites ran. (2682 ms total)
+72: [==========] 12 tests from 2 test suites ran. (771 ms total)
 72: [  PASSED  ] 12 tests.
-72/92 Test #72: Minimize1RankTests ........................   Passed    2.71 sec
+72/92 Test #72: Minimize1RankTests ........................   Passed    0.79 sec
 test 73
       Start 73: Minimize2RankTests
 
@@ -176656,7 +176658,7 @@
 73: Excluding 2 bonded neighbours molecule type 'SOL'
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (1124 ms)
+73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (229 ms)
 73: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1
 73: 
 73: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
@@ -176721,7 +176723,7 @@
 73: Excluding 2 bonded neighbours molecule type 'SOL'
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (1002 ms)
+73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (209 ms)
 73: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2
 73: 
 73: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
@@ -176786,7 +176788,7 @@
 73: turning H bonds into constraints...
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (153 ms)
+73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (67 ms)
 73: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3
 73: 
 73: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]:
@@ -176858,7 +176860,7 @@
 73: turning H bonds into constraints...
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (158 ms)
+73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (61 ms)
 73: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4
 73: 
 73: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]:
@@ -176939,7 +176941,7 @@
 73: Converted   15      Constraints with virtual sites to connections, 7 left
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (294 ms)
+73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (11 ms)
 73: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5
 73: 
 73: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]:
@@ -177027,8 +177029,8 @@
 73: Converted   15      Constraints with virtual sites to connections, 7 left
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (320 ms)
-73: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (3059 ms total)
+73: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (12 ms)
+73: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (591 ms total)
 73: 
 73: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest
 73: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0
@@ -177080,7 +177082,7 @@
 73: Excluding 1 bonded neighbours molecule type 'Argon'
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (58 ms)
+73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (7 ms)
 73: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1
 73: 
 73: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
@@ -177133,7 +177135,7 @@
 73: Excluding 1 bonded neighbours molecule type 'Argon'
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 (102 ms)
+73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 (10 ms)
 73: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2
 73: 
 73: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
@@ -177168,7 +177170,7 @@
 73: Excluding 1 bonded neighbours molecule type 'Argon'
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (3 ms)
+73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (5 ms)
 73: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3
 73: 
 73: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_input.mdp]:
@@ -177231,7 +177233,7 @@
 73: Excluding 3 bonded neighbours molecule type 'Glycine'
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (650 ms)
+73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (95 ms)
 73: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4
 73: 
 73: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]:
@@ -177297,7 +177299,7 @@
 73: Excluding 3 bonded neighbours molecule type 'Glycine'
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (522 ms)
+73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (62 ms)
 73: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5
 73: 
 73: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]:
@@ -177342,13 +177344,13 @@
 73: Excluding 3 bonded neighbours molecule type 'Glycine'
 73: 
 73: This run will generate roughly 0 Mb of data
-73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (99 ms)
-73: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (1439 ms total)
+73: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (54 ms)
+73: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (236 ms total)
 73: 
 73: [----------] Global test environment tear-down
-73: [==========] 12 tests from 2 test suites ran. (4520 ms total)
+73: [==========] 12 tests from 2 test suites ran. (850 ms total)
 73: [  PASSED  ] 12 tests.
-73/92 Test #73: Minimize2RankTests ........................   Passed    4.54 sec
+73/92 Test #73: Minimize2RankTests ........................   Passed    0.88 sec
 test 74
       Start 74: MdrunNonIntegratorTests
 
@@ -177369,9 +177371,9 @@
 74: 
 74: Coulomb LJ   comb. SIMD    Mcycles  Mcycles/it.   pairs/cycle
 74:                                                 total    useful
-74: Ewald   all  geom. 4xM       0.439     0.4390   2.4139   1.4346
-74: [       OK ] NonbondedBenchTest.BasicEndToEndTest (43 ms)
-74: [----------] 1 test from NonbondedBenchTest (43 ms total)
+74: Ewald   all  geom. 4xM       0.419     0.4195   2.5260   1.5012
+74: [       OK ] NonbondedBenchTest.BasicEndToEndTest (58 ms)
+74: [----------] 1 test from NonbondedBenchTest (58 ms total)
 74: 
 74: [----------] 5 tests from NormalModesWorks/NormalModesTest
 74: [ RUN      ] NormalModesWorks/NormalModesTest.WithinTolerances/0
@@ -177445,7 +177447,7 @@
 74: Full matrix storage format, nrow=18, ncols=18
 74: Writing eigenfrequencies - negative eigenvalues will be set to zero.
 74: Cannot compute entropy when -first = 7
-74: [       OK ] NormalModesWorks/NormalModesTest.WithinTolerances/0 (28 ms)
+74: [       OK ] NormalModesWorks/NormalModesTest.WithinTolerances/0 (8 ms)
 74: [ RUN      ] NormalModesWorks/NormalModesTest.WithinTolerances/1
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_1_input.mdp]:
@@ -177526,7 +177528,7 @@
 74: Full matrix storage format, nrow=768, ncols=768
 74: Writing eigenfrequencies - negative eigenvalues will be set to zero.
 74: Cannot compute entropy when -first = 7
-74: [       OK ] NormalModesWorks/NormalModesTest.WithinTolerances/1 (3312 ms)
+74: [       OK ] NormalModesWorks/NormalModesTest.WithinTolerances/1 (795 ms)
 74: [ RUN      ] NormalModesWorks/NormalModesTest.WithinTolerances/2
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_2_input.mdp]:
@@ -177598,7 +177600,7 @@
 74: Full matrix storage format, nrow=18, ncols=18
 74: Writing eigenfrequencies - negative eigenvalues will be set to zero.
 74: Cannot compute entropy when -first = 7
-74: [       OK ] NormalModesWorks/NormalModesTest.WithinTolerances/2 (569 ms)
+74: [       OK ] NormalModesWorks/NormalModesTest.WithinTolerances/2 (213 ms)
 74: [ RUN      ] NormalModesWorks/NormalModesTest.WithinTolerances/3
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_3_input.mdp]:
@@ -177675,7 +177677,7 @@
 74: Full matrix storage format, nrow=9, ncols=9
 74: Writing eigenfrequencies - negative eigenvalues will be set to zero.
 74: Cannot compute entropy when -first = 7
-74: [       OK ] NormalModesWorks/NormalModesTest.WithinTolerances/3 (644 ms)
+74: [       OK ] NormalModesWorks/NormalModesTest.WithinTolerances/3 (223 ms)
 74: [ RUN      ] NormalModesWorks/NormalModesTest.WithinTolerances/4
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_4_input.mdp]:
@@ -177743,8 +177745,8 @@
 74: Full matrix storage format, nrow=18, ncols=18
 74: Writing eigenfrequencies - negative eigenvalues will be set to zero.
 74: Cannot compute entropy when -first = 7
-74: [       OK ] NormalModesWorks/NormalModesTest.WithinTolerances/4 (14 ms)
-74: [----------] 5 tests from NormalModesWorks/NormalModesTest (4576 ms total)
+74: [       OK ] NormalModesWorks/NormalModesTest.WithinTolerances/4 (5 ms)
+74: [----------] 5 tests from NormalModesWorks/NormalModesTest (1246 ms total)
 74: 
 74: [----------] 12 tests from NormalMdrunIsReproduced/MdrunRerunTest
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/0
@@ -177796,13 +177798,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 14 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.121        0.061      199.8
+74:        Time:        0.002        0.001      192.9
 74:                  (ns/day)    (hour/ns)
-74: Performance:       24.191        0.992
+74: Performance:     1759.667        0.014
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -177818,18 +177817,18 @@
 74: trr version: GMX_trn_file (double precision)
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 61 % of the run time was spent in pair search,
+74: NOTE: 24 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.046        0.023      199.7
+74:        Time:        0.001        0.000      192.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:       63.338        0.379
+74: Performance:     3959.250        0.006
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/0 (95 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/0 (6 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/1
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_input.mdp]:
@@ -177879,13 +177878,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 12 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.157        0.079      199.9
+74:        Time:        0.002        0.001      195.9
 74:                  (ns/day)    (hour/ns)
-74: Performance:       18.708        1.283
+74: Performance:     1530.202        0.016
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -177900,18 +177896,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 63 % of the run time was spent in pair search,
+74: NOTE: 29 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.064        0.032      199.8
+74:        Time:        0.001        0.000      192.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:       45.633        0.526
+74: Performance:     3596.377        0.007
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/1 (123 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/1 (6 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/2
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_input.mdp]:
@@ -177955,13 +177951,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 58 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.014        0.007      199.0
+74:        Time:        0.001        0.001      193.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:      210.166        0.114
+74: Performance:     1967.612        0.012
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Changing nstlist from 8 to 100, rlist from 0.712 to 0.746
 74: 
@@ -177977,15 +177970,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
+74: NOTE: 25 % of the run time was spent in pair search,
+74:       you might want to increase nstlist (this has no effect on accuracy)
+74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.006        0.003      198.4
+74:        Time:        0.001        0.000      192.8
 74:                  (ns/day)    (hour/ns)
-74: Performance:      449.350        0.053
+74: Performance:     3756.460        0.006
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/2 (26 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/2 (6 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/3
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_input.mdp]:
@@ -178032,9 +178028,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.003        0.002      196.2
+74:        Time:        0.001        0.001      193.4
 74:                  (ns/day)    (hour/ns)
-74: Performance:      849.269        0.028
+74: Performance:     1975.182        0.012
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 74: 
@@ -178050,15 +178046,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
+74: NOTE: 23 % of the run time was spent in pair search,
+74:       you might want to increase nstlist (this has no effect on accuracy)
+74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.002        0.001      195.7
+74:        Time:        0.001        0.000      192.4
 74:                  (ns/day)    (hour/ns)
-74: Performance:     1493.839        0.016
+74: Performance:     3852.779        0.006
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/3 (15 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/3 (6 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/4
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_input.mdp]:
@@ -178117,13 +178116,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 12 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.146        0.073      199.9
+74:        Time:        0.006        0.003      197.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:       20.133        1.192
+74: Performance:      521.775        0.046
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -178138,18 +178134,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 63 % of the run time was spent in pair search,
+74: NOTE: 26 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.046        0.023      199.7
+74:        Time:        0.001        0.000      193.4
 74:                  (ns/day)    (hour/ns)
-74: Performance:       64.221        0.374
+74: Performance:     3269.954        0.007
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/4 (545 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/4 (212 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/5
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_input.mdp]:
@@ -178209,9 +178205,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.002        0.001      195.1
+74:        Time:        0.005        0.003      197.9
 74:                  (ns/day)    (hour/ns)
-74: Performance:     1290.988        0.019
+74: Performance:      531.544        0.045
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -178226,18 +178222,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 24 % of the run time was spent in pair search,
+74: NOTE: 31 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.001        0.000      191.7
+74:        Time:        0.001        0.000      192.8
 74:                  (ns/day)    (hour/ns)
-74: Performance:     4118.044        0.006
+74: Performance:     3206.972        0.007
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/5 (392 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/5 (213 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/6
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_input.mdp]:
@@ -178291,9 +178287,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.141        0.070      199.9
+74:        Time:        0.010        0.005      198.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:       20.882        1.149
+74: Performance:      298.464        0.080
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Changing nstlist from 8 to 100, rlist from 0.736 to 0.834
 74: 
@@ -178309,18 +178305,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 56 % of the run time was spent in pair search,
+74: NOTE: 28 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.050        0.025      199.7
+74:        Time:        0.001        0.001      193.8
 74:                  (ns/day)    (hour/ns)
-74: Performance:       58.174        0.413
+74: Performance:     2804.094        0.009
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/6 (683 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/6 (220 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/7
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_input.mdp]:
@@ -178376,9 +178372,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.166        0.083      199.9
+74:        Time:        0.004        0.002      196.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:       17.690        1.357
+74: Performance:      755.438        0.032
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 74: 
@@ -178394,18 +178390,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 57 % of the run time was spent in pair search,
+74: NOTE: 22 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.050        0.025      199.7
+74:        Time:        0.001        0.000      192.3
 74:                  (ns/day)    (hour/ns)
-74: Performance:       58.320        0.412
+74: Performance:     3697.835        0.006
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/7 (491 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/7 (212 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/8
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_input.mdp]:
@@ -178490,9 +178486,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.418        0.209      199.9
+74:        Time:        0.003        0.002      195.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:        7.026        3.416
+74: Performance:      969.714        0.025
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -178509,18 +178505,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 50 % of the run time was spent in pair search,
+74: NOTE: 22 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.065        0.033      199.7
+74:        Time:        0.002        0.001      191.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:       45.042        0.533
+74: Performance:     1850.584        0.013
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/8 (284 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/8 (14 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/9
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_input.mdp]:
@@ -178605,9 +178601,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.494        0.247      200.0
+74:        Time:        0.003        0.002      195.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:        5.947        4.036
+74: Performance:      895.826        0.027
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -178624,18 +178620,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 50 % of the run time was spent in pair search,
+74: NOTE: 17 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.065        0.033      199.7
+74:        Time:        0.001        0.001      193.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:       44.867        0.535
+74: Performance:     2393.393        0.010
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/9 (317 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/9 (15 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/10
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_input.mdp]:
@@ -178713,9 +178709,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.407        0.203      199.9
+74:        Time:        0.004        0.002      196.3
 74:                  (ns/day)    (hour/ns)
-74: Performance:        7.222        3.323
+74: Performance:      667.381        0.036
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Changing nstlist from 8 to 80, rlist from 0.75 to 0.871
 74: 
@@ -178733,18 +178729,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 46 % of the run time was spent in pair search,
+74: NOTE: 23 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.070        0.035      199.8
+74:        Time:        0.002        0.001      194.8
 74:                  (ns/day)    (hour/ns)
-74: Performance:       42.069        0.570
+74: Performance:     1711.752        0.014
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/10 (331 ms)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/10 (75 ms)
 74: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/11
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_input.mdp]:
@@ -178824,9 +178820,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.646        0.323      200.0
+74:        Time:        0.003        0.002      195.5
 74:                  (ns/day)    (hour/ns)
-74: Performance:        4.544        5.281
+74: Performance:      823.169        0.029
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Changing nstlist from 8 to 25, rlist from 0.73 to 0.814
 74: 
@@ -178844,19 +178840,19 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 47 % of the run time was spent in pair search,
+74: NOTE: 22 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.069        0.035      199.8
+74:        Time:        0.002        0.001      194.9
 74:                  (ns/day)    (hour/ns)
-74: Performance:       42.460        0.565
+74: Performance:     1646.777        0.015
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/11 (420 ms)
-74: [----------] 12 tests from NormalMdrunIsReproduced/MdrunRerunTest (3735 ms total)
+74: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/11 (37 ms)
+74: [----------] 12 tests from NormalMdrunIsReproduced/MdrunRerunTest (1028 ms total)
 74: 
 74: [----------] 33 tests from MdrunIsReproduced/MdrunRerunFreeEnergyTest
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/0
@@ -178924,13 +178920,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 11 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.182        0.091      199.9
+74:        Time:        0.004        0.002      195.1
 74:                  (ns/day)    (hour/ns)
-74: Performance:       16.154        1.486
+74: Performance:      774.625        0.031
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -178945,18 +178938,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 55 % of the run time was spent in pair search,
+74: NOTE: 19 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.029      199.7
+74:        Time:        0.002        0.001      194.4
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.946        0.481
+74: Performance:     1575.599        0.015
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/0 (145 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/0 (15 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/1
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_input.mdp]:
@@ -179022,13 +179015,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 11 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.187        0.094      199.9
+74:        Time:        0.003        0.002      194.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:       15.669        1.532
+74: Performance:      909.850        0.026
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -179043,18 +179033,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 56 % of the run time was spent in pair search,
+74: NOTE: 19 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.060        0.030      199.7
+74:        Time:        0.002        0.001      194.5
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.140        0.488
+74: Performance:     1467.856        0.016
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/1 (148 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/1 (15 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/2
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_input.mdp]:
@@ -179120,13 +179110,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 22 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.030        0.015      199.0
+74:        Time:        0.004        0.002      195.1
 74:                  (ns/day)    (hour/ns)
-74: Performance:       97.321        0.247
+74: Performance:      741.793        0.032
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -179141,18 +179128,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 18 % of the run time was spent in pair search,
+74: NOTE: 16 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.001        0.001      192.6
+74:        Time:        0.002        0.001      195.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:     1971.390        0.012
+74: Performance:     1240.555        0.019
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/2 (40 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/2 (15 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/3
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_input.mdp]:
@@ -179219,9 +179206,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.227        0.113      199.9
+74:        Time:        0.003        0.002      194.7
 74:                  (ns/day)    (hour/ns)
-74: Performance:       12.946        1.854
+74: Performance:      882.227        0.027
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -179236,18 +179223,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 55 % of the run time was spent in pair search,
+74: NOTE: 17 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.030      199.7
+74:        Time:        0.002        0.001      193.9
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.471        0.485
+74: Performance:     1649.864        0.015
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/3 (178 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/3 (15 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/4
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_input.mdp]:
@@ -179313,13 +179300,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 15 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.324        0.162      199.9
+74:        Time:        0.003        0.002      194.9
 74:                  (ns/day)    (hour/ns)
-74: Performance:        9.067        2.647
+74: Performance:      844.380        0.028
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -179334,18 +179318,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 54 % of the run time was spent in pair search,
+74: NOTE: 17 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.060        0.030      199.7
+74:        Time:        0.002        0.001      193.7
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.079        0.489
+74: Performance:     1661.881        0.014
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/4 (216 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/4 (16 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/5
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_input.mdp]:
@@ -179411,13 +179395,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 11 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.181        0.090      199.8
+74:        Time:        0.003        0.002      194.9
 74:                  (ns/day)    (hour/ns)
-74: Performance:       16.238        1.478
+74: Performance:      837.151        0.029
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -179432,18 +179413,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 55 % of the run time was spent in pair search,
+74: NOTE: 17 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.030      199.6
+74:        Time:        0.002        0.001      194.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.416        0.486
+74: Performance:     1537.842        0.016
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/5 (145 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/5 (15 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/6
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_input.mdp]:
@@ -179509,13 +179490,13 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 11 % of the run time was spent in pair search,
+74: NOTE: 46 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.181        0.091      199.8
+74:        Time:        0.014        0.007      198.4
 74:                  (ns/day)    (hour/ns)
-74: Performance:       16.183        1.483
+74: Performance:      205.840        0.117
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -179530,18 +179511,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 55 % of the run time was spent in pair search,
+74: NOTE: 16 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.030      199.6
+74:        Time:        0.001        0.001      192.7
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.384        0.486
+74: Performance:     1903.180        0.013
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/6 (145 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/6 (26 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/7
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_input.mdp]:
@@ -179607,13 +179588,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 10 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.197        0.098      199.9
+74:        Time:        0.003        0.001      193.5
 74:                  (ns/day)    (hour/ns)
-74: Performance:       14.930        1.608
+74: Performance:      983.649        0.024
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -179628,18 +179606,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 54 % of the run time was spent in pair search,
+74: NOTE: 16 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.030      199.6
+74:        Time:        0.002        0.001      193.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.750        0.482
+74: Performance:     1889.753        0.013
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/7 (155 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/7 (16 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/8
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_input.mdp]:
@@ -179705,13 +179683,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 11 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.181        0.091      199.9
+74:        Time:        0.003        0.002      193.5
 74:                  (ns/day)    (hour/ns)
-74: Performance:       16.196        1.482
+74: Performance:      967.430        0.025
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -179726,18 +179701,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 55 % of the run time was spent in pair search,
+74: NOTE: 17 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.029      199.7
+74:        Time:        0.001        0.001      192.7
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.878        0.481
+74: Performance:     2004.749        0.012
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/8 (144 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/8 (15 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/9
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_input.mdp]:
@@ -179803,13 +179778,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 11 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.181        0.091      199.9
+74:        Time:        0.003        0.002      194.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       16.199        1.482
+74: Performance:      891.419        0.027
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -179824,18 +179796,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 55 % of the run time was spent in pair search,
+74: NOTE: 18 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.030      199.7
+74:        Time:        0.002        0.001      193.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.710        0.483
+74: Performance:     1699.943        0.014
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/9 (146 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/9 (15 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/10
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_input.mdp]:
@@ -179901,13 +179873,10 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 11 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.182        0.091      199.9
+74:        Time:        0.003        0.002      193.9
 74:                  (ns/day)    (hour/ns)
-74: Performance:       16.152        1.486
+74: Performance:      896.086        0.027
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -179922,18 +179891,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 37 % of the run time was spent in pair search,
+74: NOTE: 18 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.052        0.026      199.6
+74:        Time:        0.002        0.001      193.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:       56.068        0.428
+74: Performance:     1754.155        0.014
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/10 (141 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/10 (15 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/11
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_input.mdp]:
@@ -180000,9 +179969,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.005        0.003      197.1
+74:        Time:        0.004        0.002      197.3
 74:                  (ns/day)    (hour/ns)
-74: Performance:      539.551        0.044
+74: Performance:      706.409        0.034
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -180017,18 +179986,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 17 % of the run time was spent in pair search,
+74: NOTE: 18 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.001        0.001      189.9
+74:        Time:        0.002        0.001      193.9
 74:                  (ns/day)    (hour/ns)
-74: Performance:     1993.075        0.012
+74: Performance:     1689.222        0.014
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/11 (20 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/11 (15 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/12
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_input.mdp]:
@@ -180095,9 +180064,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.005        0.002      196.9
+74:        Time:        0.005        0.002      197.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:      597.594        0.040
+74: Performance:      602.385        0.040
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -180112,18 +180081,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 56 % of the run time was spent in pair search,
+74: NOTE: 20 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.102        0.051      199.8
+74:        Time:        0.002        0.001      193.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:       28.724        0.836
+74: Performance:     1755.155        0.014
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/12 (70 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/12 (16 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/13
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_input.mdp]:
@@ -180189,10 +180158,13 @@
 74: 
 74: Writing final coordinates.
 74: 
+74: NOTE: 21 % of the run time was spent in pair search,
+74:       you might want to increase nstlist (this has no effect on accuracy)
+74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.230        0.115      199.9
+74:        Time:        0.032        0.016      199.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:       12.789        1.877
+74: Performance:       91.163        0.263
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -180207,18 +180179,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 54 % of the run time was spent in pair search,
+74: NOTE: 18 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.030      199.6
+74:        Time:        0.002        0.001      194.4
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.312        0.487
+74: Performance:     1566.784        0.015
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/13 (176 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/13 (33 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/14
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_input.mdp]:
@@ -180285,9 +180257,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.232        0.116      199.9
+74:        Time:        0.005        0.002      197.4
 74:                  (ns/day)    (hour/ns)
-74: Performance:       12.684        1.892
+74: Performance:      626.714        0.038
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -180302,18 +180274,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 55 % of the run time was spent in pair search,
+74: NOTE: 18 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.030      199.6
+74:        Time:        0.002        0.001      194.1
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.533        0.485
+74: Performance:     1637.150        0.015
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/14 (169 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/14 (18 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/15
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_input.mdp]:
@@ -180380,9 +180352,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.229        0.115      199.9
+74:        Time:        0.005        0.002      197.4
 74:                  (ns/day)    (hour/ns)
-74: Performance:       12.801        1.875
+74: Performance:      628.696        0.038
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -180397,18 +180369,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 56 % of the run time was spent in pair search,
+74: NOTE: 18 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.030      199.7
+74:        Time:        0.001        0.001      192.8
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.669        0.483
+74: Performance:     1996.304        0.012
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/15 (168 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/15 (15 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/16
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_input.mdp]:
@@ -180475,9 +180447,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.231        0.116      199.9
+74:        Time:        0.004        0.002      197.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       12.707        1.889
+74: Performance:      778.344        0.031
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -180492,18 +180464,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 54 % of the run time was spent in pair search,
+74: NOTE: 22 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.060        0.030      199.7
+74:        Time:        0.002        0.001      194.3
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.192        0.488
+74: Performance:     1449.210        0.017
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/16 (168 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/16 (16 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/17
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_input.mdp]:
@@ -180570,9 +180542,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.230        0.115      199.9
+74:        Time:        0.004        0.002      197.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:       12.743        1.883
+74: Performance:      721.212        0.033
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -180587,18 +180559,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 54 % of the run time was spent in pair search,
+74: NOTE: 18 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.030      199.7
+74:        Time:        0.002        0.001      194.4
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.678        0.483
+74: Performance:     1511.431        0.016
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/17 (169 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/17 (15 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/18
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_input.mdp]:
@@ -180665,9 +180637,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.231        0.115      199.9
+74:        Time:        0.004        0.002      197.4
 74:                  (ns/day)    (hour/ns)
-74: Performance:       12.737        1.884
+74: Performance:      655.173        0.037
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -180682,18 +180654,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 54 % of the run time was spent in pair search,
+74: NOTE: 33 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.060        0.030      199.6
+74:        Time:        0.002        0.001      195.4
 74:                  (ns/day)    (hour/ns)
-74: Performance:       48.943        0.490
+74: Performance:     1253.937        0.019
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/18 (169 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/18 (16 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/19
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_input.mdp]:
@@ -180760,9 +180732,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.231        0.116      199.9
+74:        Time:        0.005        0.002      197.5
 74:                  (ns/day)    (hour/ns)
-74: Performance:       12.714        1.888
+74: Performance:      607.254        0.040
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -180777,18 +180749,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 55 % of the run time was spent in pair search,
+74: NOTE: 20 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.059        0.030      199.6
+74:        Time:        0.002        0.001      194.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.634        0.484
+74: Performance:     1601.402        0.015
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/19 (169 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/19 (16 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/20
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_input.mdp]:
@@ -180855,9 +180827,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.318        0.159      199.9
+74:        Time:        0.006        0.003      197.7
 74:                  (ns/day)    (hour/ns)
-74: Performance:        9.238        2.598
+74: Performance:      519.443        0.046
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -180872,18 +180844,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 54 % of the run time was spent in pair search,
+74: NOTE: 19 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.060        0.030      199.6
+74:        Time:        0.002        0.001      194.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:       49.210        0.488
+74: Performance:     1663.227        0.014
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/20 (217 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/20 (17 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/21
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_input.mdp]:
@@ -180950,9 +180922,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.266        0.133      199.9
+74:        Time:        0.005        0.002      197.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:       11.040        2.174
+74: Performance:      605.821        0.040
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Can not increase nstlist because an NVE ensemble is used
 74: Using 1 MPI thread
@@ -180967,18 +180939,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 56 % of the run time was spent in pair search,
+74: NOTE: 17 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.063        0.032      199.7
+74:        Time:        0.001        0.001      193.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:       46.447        0.517
+74: Performance:     1902.005        0.013
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/21 (205 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/21 (16 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/22
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_input.mdp]:
@@ -181040,9 +181012,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.276        0.138      199.9
+74:        Time:        0.004        0.002      195.1
 74:                  (ns/day)    (hour/ns)
-74: Performance:       10.650        2.254
+74: Performance:      804.150        0.030
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Changing nstlist from 8 to 20, rlist from 0.759 to 0.868
 74: 
@@ -181058,18 +181030,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 52 % of the run time was spent in pair search,
+74: NOTE: 20 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.056        0.028      199.6
+74:        Time:        0.002        0.001      194.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:       52.161        0.460
+74: Performance:     1177.484        0.020
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/22 (210 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/22 (25 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/23
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_input.mdp]:
@@ -181131,9 +181103,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.282        0.141      199.9
+74:        Time:        0.004        0.002      195.9
 74:                  (ns/day)    (hour/ns)
-74: Performance:       10.413        2.305
+74: Performance:      721.043        0.033
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Changing nstlist from 8 to 20, rlist from 0.759 to 0.868
 74: 
@@ -181149,18 +181121,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 51 % of the run time was spent in pair search,
+74: NOTE: 17 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.113        0.057      199.8
+74:        Time:        0.002        0.001      192.9
 74:                  (ns/day)    (hour/ns)
-74: Performance:       25.902        0.927
+74: Performance:     1747.191        0.014
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/23 (242 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/23 (24 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/24
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_input.mdp]:
@@ -181222,9 +181194,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.261        0.130      199.9
+74:        Time:        0.003        0.002      194.8
 74:                  (ns/day)    (hour/ns)
-74: Performance:       11.257        2.132
+74: Performance:      887.438        0.027
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Changing nstlist from 8 to 20, rlist from 0.759 to 0.868
 74: 
@@ -181240,18 +181212,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 48 % of the run time was spent in pair search,
+74: NOTE: 16 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.058        0.029      199.6
+74:        Time:        0.002        0.001      193.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       50.676        0.474
+74: Performance:     1718.436        0.014
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/24 (213 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/24 (23 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/25
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_input.mdp]:
@@ -181313,9 +181285,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.212        0.106      199.5
+74:        Time:        0.003        0.002      194.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:       13.810        1.738
+74: Performance:      852.795        0.028
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Changing nstlist from 8 to 20, rlist from 0.759 to 0.868
 74: 
@@ -181331,18 +181303,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 41 % of the run time was spent in pair search,
+74: NOTE: 16 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.079        0.040      199.7
+74:        Time:        0.002        0.001      191.5
 74:                  (ns/day)    (hour/ns)
-74: Performance:       37.016        0.648
+74: Performance:     1720.836        0.014
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/25 (191 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/25 (24 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/26
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_input.mdp]:
@@ -181404,9 +181376,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.214        0.107      199.9
+74:        Time:        0.003        0.002      194.7
 74:                  (ns/day)    (hour/ns)
-74: Performance:       13.715        1.750
+74: Performance:      875.084        0.027
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Changing nstlist from 8 to 20, rlist from 0.759 to 0.868
 74: 
@@ -181422,18 +181394,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 51 % of the run time was spent in pair search,
+74: NOTE: 21 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.064        0.032      199.7
+74:        Time:        0.002        0.001      194.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       45.828        0.524
+74: Performance:     1354.870        0.018
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/26 (178 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/26 (24 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/27
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_input.mdp]:
@@ -181495,9 +181467,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.202        0.101      199.9
+74:        Time:        0.004        0.002      192.6
 74:                  (ns/day)    (hour/ns)
-74: Performance:       14.522        1.653
+74: Performance:      747.645        0.032
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Changing nstlist from 8 to 20, rlist from 0.759 to 0.868
 74: 
@@ -181513,18 +181485,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 51 % of the run time was spent in pair search,
+74: NOTE: 17 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.063        0.032      199.6
+74:        Time:        0.002        0.001      193.1
 74:                  (ns/day)    (hour/ns)
-74: Performance:       46.185        0.520
+74: Performance:     1565.589        0.015
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/27 (168 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/27 (25 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/28
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_input.mdp]:
@@ -181586,9 +181558,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.200        0.100      199.9
+74:        Time:        0.004        0.002      195.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:       14.680        1.635
+74: Performance:      729.669        0.033
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Changing nstlist from 8 to 20, rlist from 0.759 to 0.868
 74: 
@@ -181604,18 +181576,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 51 % of the run time was spent in pair search,
+74: NOTE: 18 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.064        0.032      199.6
+74:        Time:        0.002        0.001      193.9
 74:                  (ns/day)    (hour/ns)
-74: Performance:       46.159        0.520
+74: Performance:     1265.009        0.019
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/28 (166 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/28 (25 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/29
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_input.mdp]:
@@ -181677,9 +181649,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.213        0.107      199.9
+74:        Time:        0.004        0.002      194.4
 74:                  (ns/day)    (hour/ns)
-74: Performance:       13.774        1.742
+74: Performance:      698.797        0.034
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Changing nstlist from 8 to 20, rlist from 0.759 to 0.868
 74: 
@@ -181695,18 +181667,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 51 % of the run time was spent in pair search,
+74: NOTE: 18 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.064        0.032      199.7
+74:        Time:        0.002        0.001      192.8
 74:                  (ns/day)    (hour/ns)
-74: Performance:       46.119        0.520
+74: Performance:     1515.894        0.016
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/29 (173 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/29 (24 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/30
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_input.mdp]:
@@ -181768,9 +181740,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.221        0.110      199.9
+74:        Time:        0.004        0.002      193.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       13.311        1.803
+74: Performance:      663.142        0.036
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Changing nstlist from 8 to 20, rlist from 0.759 to 0.868
 74: 
@@ -181786,18 +181758,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 51 % of the run time was spent in pair search,
+74: NOTE: 16 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.064        0.032      199.7
+74:        Time:        0.002        0.001      192.2
 74:                  (ns/day)    (hour/ns)
-74: Performance:       46.146        0.520
+74: Performance:     1435.701        0.017
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/30 (186 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/30 (27 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/31
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_input.mdp]:
@@ -181859,9 +181831,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.215        0.108      199.9
+74:        Time:        0.004        0.002      194.3
 74:                  (ns/day)    (hour/ns)
-74: Performance:       13.651        1.758
+74: Performance:      765.006        0.031
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Changing nstlist from 8 to 20, rlist from 0.759 to 0.868
 74: 
@@ -181877,18 +181849,18 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 51 % of the run time was spent in pair search,
+74: NOTE: 16 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.064        0.032      199.7
+74:        Time:        0.002        0.001      192.4
 74:                  (ns/day)    (hour/ns)
-74: Performance:       45.832        0.524
+74: Performance:     1535.925        0.016
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/31 (184 ms)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/31 (29 ms)
 74: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/32
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_input.mdp]:
@@ -181950,9 +181922,9 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.214        0.107      199.9
+74:        Time:        0.004        0.002      194.4
 74:                  (ns/day)    (hour/ns)
-74: Performance:       13.723        1.749
+74: Performance:      801.222        0.030
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 74: Changing nstlist from 8 to 20, rlist from 0.759 to 0.868
 74: 
@@ -181968,19 +181940,19 @@
 74: 
 74: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 74: 
-74: NOTE: 51 % of the run time was spent in pair search,
+74: NOTE: 17 % of the run time was spent in pair search,
 74:       you might want to increase nstlist (this has no effect on accuracy)
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.063        0.032      199.7
+74:        Time:        0.002        0.001      192.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       46.288        0.518
+74: Performance:     1680.926        0.014
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim1.edr as double precision energy file
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim2.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 74: 
-74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/32 (173 ms)
-74: [----------] 33 tests from MdrunIsReproduced/MdrunRerunFreeEnergyTest (5405 ms total)
+74: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/32 (28 ms)
+74: [----------] 33 tests from MdrunIsReproduced/MdrunRerunFreeEnergyTest (665 ms total)
 74: 
 74: [----------] 2 tests from Angles1/SimpleMdrunTest
 74: [ RUN      ] Angles1/SimpleMdrunTest.WithinTolerances/0
@@ -182038,16 +182010,13 @@
 74: 
 74: Writing final coordinates.
 74: 
-74: NOTE: 16 % of the run time was spent in pair search,
-74:       you might want to increase nstlist (this has no effect on accuracy)
-74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.221        0.110      199.9
+74:        Time:        0.003        0.001      195.0
 74:                  (ns/day)    (hour/ns)
-74: Performance:       39.935        0.601
+74: Performance:     3009.572        0.008
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Angles1_SimpleMdrunTest_WithinTolerances_0.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      5 time    0.020         
Reading energy frame      6 time    0.024         
Reading energy frame      7 time    0.028         
Reading energy frame      8 time    0.032         
Reading energy frame      9 time    0.036         
Reading energy frame     10 time    0.040         
Reading energy frame     11 time    0.044         
Reading energy frame     12 time    0.048         
Reading energy frame     13 time    0.050         
Last energy frame read 13 time    0.050         
-74: [       OK ] Angles1/SimpleMdrunTest.WithinTolerances/0 (128 ms)
+74: [       OK ] Angles1/SimpleMdrunTest.WithinTolerances/0 (6 ms)
 74: [ RUN      ] Angles1/SimpleMdrunTest.WithinTolerances/1
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Angles1_SimpleMdrunTest_WithinTolerances_1_input.mdp]:
@@ -182104,18 +182073,18 @@
 74: Writing final coordinates.
 74: 
 74:                Core t (s)   Wall t (s)        (%)
-74:        Time:        0.003        0.002      196.7
+74:        Time:        0.003        0.002      196.9
 74:                  (ns/day)    (hour/ns)
-74: Performance:     2795.188        0.009
+74: Performance:     2626.372        0.009
 74: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Angles1_SimpleMdrunTest_WithinTolerances_1.edr as double precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      5 time    0.020         
Reading energy frame      6 time    0.024         
Reading energy frame      7 time    0.028         
Reading energy frame      8 time    0.032         
Reading energy frame      9 time    0.036         
Reading energy frame     10 time    0.040         
Reading energy frame     11 time    0.044         
Reading energy frame     12 time    0.048         
Reading energy frame     13 time    0.050         
Last energy frame read 13 time    0.050         
-74: [       OK ] Angles1/SimpleMdrunTest.WithinTolerances/1 (13 ms)
-74: [----------] 2 tests from Angles1/SimpleMdrunTest (142 ms total)
+74: [       OK ] Angles1/SimpleMdrunTest.WithinTolerances/1 (6 ms)
+74: [----------] 2 tests from Angles1/SimpleMdrunTest (13 ms total)
 74: 
 74: [----------] Global test environment tear-down
-74: [==========] 53 tests from 5 test suites ran. (13946 ms total)
+74: [==========] 53 tests from 5 test suites ran. (3041 ms total)
 74: [  PASSED  ] 53 tests.
-74/92 Test #74: MdrunNonIntegratorTests ...................   Passed   13.97 sec
+74/92 Test #74: MdrunNonIntegratorTests ...................   Passed    3.07 sec
 test 75
       Start 75: MdrunTpiTests
 
@@ -182152,7 +182121,7 @@
 75: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 75: 
 75: This run will generate roughly 0 Mb of data
-75: [       OK ] Simple/TpiTest.ReproducesOutput/0 (810 ms)
+75: [       OK ] Simple/TpiTest.ReproducesOutput/0 (232 ms)
 75: [ RUN      ] Simple/TpiTest.ReproducesOutput/1
 75: Generating 1-4 interactions: fudge = 0.5
 75: Number of degrees of freedom in T-Coupling group System is 1308.00
@@ -182180,7 +182149,7 @@
 75: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 75: 
 75: This run will generate roughly 0 Mb of data
-75: [       OK ] Simple/TpiTest.ReproducesOutput/1 (744 ms)
+75: [       OK ] Simple/TpiTest.ReproducesOutput/1 (211 ms)
 75: [ RUN      ] Simple/TpiTest.ReproducesOutput/2
 75: Generating 1-4 interactions: fudge = 0.5
 75: Number of degrees of freedom in T-Coupling group System is 1308.00
@@ -182208,13 +182177,13 @@
 75: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 75: 
 75: This run will generate roughly 0 Mb of data
-75: [       OK ] Simple/TpiTest.ReproducesOutput/2 (355 ms)
-75: [----------] 3 tests from Simple/TpiTest (1912 ms total)
+75: [       OK ] Simple/TpiTest.ReproducesOutput/2 (209 ms)
+75: [----------] 3 tests from Simple/TpiTest (653 ms total)
 75: 
 75: [----------] Global test environment tear-down
-75: [==========] 3 tests from 1 test suite ran. (1924 ms total)
+75: [==========] 3 tests from 1 test suite ran. (660 ms total)
 75: [  PASSED  ] 3 tests.
-75/92 Test #75: MdrunTpiTests .............................   Passed    1.96 sec
+75/92 Test #75: MdrunTpiTests .............................   Passed    0.68 sec
 test 76
       Start 76: MdrunMpiTests
 
@@ -182261,16 +182230,16 @@
 76: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 76: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 76: 
-76: NOTE: 21 % of the run time was spent in domain decomposition,
-76:       14 % of the run time was spent in pair search,
+76: NOTE: 22 % of the run time was spent in domain decomposition,
+76:       13 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.000      372.7
+76:        Time:        0.001        0.000      372.0
 76:                  (ns/day)    (hour/ns)
-76: Performance:      365.864        0.066
+76: Performance:      357.737        0.067
 76: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol.edr as double precision energy file
-76: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -650145955
+76: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -576192577
 76: 
 76: Generated 10 of the 10 non-bonded parameter combinations
 76: 
@@ -182281,7 +182250,7 @@
 76: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/4water.gro', all velocities are zero
 76: 
 76: This run will generate roughly 0 Mb of data
-76: [       OK ] MimicTest.OneQuantumMol (23 ms)
+76: [       OK ] MimicTest.OneQuantumMol (5 ms)
 76: [ RUN      ] MimicTest.AllQuantumMol
 76: 
 76: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol_input.mdp]:
@@ -182319,16 +182288,16 @@
 76: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 76: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 76: 
-76: NOTE: 54 % of the run time was spent in domain decomposition,
-76:       13 % of the run time was spent in pair search,
+76: NOTE: 24 % of the run time was spent in domain decomposition,
+76:       14 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.119        0.030      399.7
+76:        Time:        0.001        0.000      372.4
 76:                  (ns/day)    (hour/ns)
-76: Performance:        2.894        8.292
+76: Performance:      369.972        0.065
 76: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol.edr as double precision energy file
-76: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -287932693
+76: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -829718802
 76: 
 76: Generated 10 of the 10 non-bonded parameter combinations
 76: 
@@ -182339,7 +182308,7 @@
 76: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/4water.gro', all velocities are zero
 76: 
 76: This run will generate roughly 0 Mb of data
-76: [       OK ] MimicTest.AllQuantumMol (187 ms)
+76: [       OK ] MimicTest.AllQuantumMol (4 ms)
 76: [ RUN      ] MimicTest.TwoQuantumMol
 76: 
 76: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]:
@@ -182377,16 +182346,16 @@
 76: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 76: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 76: 
-76: NOTE: 34 % of the run time was spent in domain decomposition,
-76:       27 % of the run time was spent in pair search,
+76: NOTE: 23 % of the run time was spent in domain decomposition,
+76:       14 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.084        0.021      399.5
+76:        Time:        0.001        0.000      369.4
 76:                  (ns/day)    (hour/ns)
-76: Performance:        4.098        5.856
+76: Performance:      329.743        0.073
 76: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol.edr as double precision energy file
-76: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -1180073
+76: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to 2008431607
 76: 
 76: Generated 10 of the 10 non-bonded parameter combinations
 76: 
@@ -182397,7 +182366,7 @@
 76: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/4water.gro', all velocities are zero
 76: 
 76: This run will generate roughly 0 Mb of data
-76: [       OK ] MimicTest.TwoQuantumMol (49 ms)
+76: [       OK ] MimicTest.TwoQuantumMol (5 ms)
 76: [ RUN      ] MimicTest.BondCuts
 76: 
 76: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]:
@@ -182435,16 +182404,16 @@
 76: Reading frames from gro file 'Alanine dipeptide in water', 23 atoms.
 76: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 76: 
-76: NOTE: 53 % of the run time was spent in domain decomposition,
-76:       11 % of the run time was spent in pair search,
+76: NOTE: 16 % of the run time was spent in domain decomposition,
+76:       12 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.084        0.021      399.5
+76:        Time:        0.002        0.000      380.4
 76:                  (ns/day)    (hour/ns)
-76: Performance:        4.127        5.815
+76: Performance:      207.434        0.116
 76: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts.edr as double precision energy file
-76: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to 1958596475
+76: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to 935290047
 76: 
 76: Generated 2211 of the 2211 non-bonded parameter combinations
 76: 
@@ -182463,8 +182432,8 @@
 76: Note that mdrun will redetermine rlist based on the actual pair-list setup
 76: 
 76: This run will generate roughly 0 Mb of data
-76: [       OK ] MimicTest.BondCuts (78 ms)
-76: [----------] 4 tests from MimicTest (340 ms total)
+76: [       OK ] MimicTest.BondCuts (15 ms)
+76: [----------] 4 tests from MimicTest (31 ms total)
 76: 
 76: [----------] 12 tests from DomainDecomposition/DomDecSpecialCasesTest
 76: Generating 1-4 interactions: fudge = 0.5
@@ -182507,7 +182476,7 @@
 76: 
 76: 
 76: There was 1 NOTE
-76: Setting the LD random seed to -771818633
+76: Setting the LD random seed to -17633605
 76: 
 76: Generated 3 of the 3 non-bonded parameter combinations
 76: 
@@ -182518,7 +182487,7 @@
 76: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/spc2_and_vacuum.gro', all velocities are zero
 76: 
 76: This run will generate roughly 0 Mb of data
-76: Setting the LD random seed to -336594689
+76: Setting the LD random seed to -68275620
 76: 
 76: Generated 3 of the 3 non-bonded parameter combinations
 76: 
@@ -182537,7 +182506,7 @@
 76: Note that mdrun will redetermine rlist based on the actual pair-list setup
 76: 
 76: This run will generate roughly 0 Mb of data
-76: Setting the LD random seed to 1604573695
+76: Setting the LD random seed to -546047390
 76: 
 76: Generated 3 of the 3 non-bonded parameter combinations
 76: 
@@ -182554,7 +182523,7 @@
 76: Estimate for the relative computational load of the PME mesh part: 1.00
 76: 
 76: This run will generate roughly 0 Mb of data
-76: Setting the LD random seed to 754887159
+76: Setting the LD random seed to -218141697
 76: 
 76: Generated 3 of the 3 non-bonded parameter combinations
 76: 
@@ -182598,23 +182567,19 @@
 76: 
 76: Dynamic load balancing report:
 76:  DLB was off during the run due to low measured imbalance.
-76:  Average load imbalance: 0.4%.
-76:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
-76:  Part of the total run time spent waiting due to load imbalance: 0.2%.
-76: 
+76:  Average load imbalance: 1.0%.
+76:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+76:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 76: 
-76: NOTE: 11 % of the run time was spent in domain decomposition,
-76:       4 % of the run time was spent in pair search,
-76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
-76: NOTE: 28 % of the run time was spent communicating energies,
+76: NOTE: 38 % of the run time was spent communicating energies,
 76:       you might want to increase some nst* mdp options
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.005        0.001      391.8
+76:        Time:        0.014        0.004      394.3
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1318.687        0.018
-76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_No_coupling_nbcpu_pmecpu_updatecpu_npme0 (33 ms)
+76: Performance:      510.286        0.047
+76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_No_coupling_nbcpu_pmecpu_updatecpu_npme0 (7 ms)
 76: [ RUN      ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_No_coupling_nbcpu_pmecpu_updatecpu_npme1
 76: ./src/programs/mdrun/tests/domain_decomposition.cpp:385: Skipped
 76: Test configuration is invalid:
@@ -182645,14 +182610,15 @@
 76: 
 76: Writing final coordinates.
 76: 
-76: NOTE: 22 % of the run time was spent communicating energies,
-76:       you might want to increase some nst* mdp options
+76: NOTE: 53 % of the run time was spent in domain decomposition,
+76:       17 % of the run time was spent in pair search,
+76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.004        0.001      386.8
+76:        Time:        0.084        0.021      399.1
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1942.355        0.012
-76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme0 (19 ms)
+76: Performance:       86.329        0.278
+76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme0 (47 ms)
 76: [ RUN      ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme1
 76: ./src/programs/mdrun/tests/domain_decomposition.cpp:385: Skipped
 76: Test configuration is invalid:
@@ -182685,19 +182651,16 @@
 76: 
 76: Dynamic load balancing report:
 76:  DLB was off during the run due to low measured imbalance.
-76:  Average load imbalance: 1.8%.
-76:  The balanceable part of the MD step is 4%, load imbalance is computed from this.
-76:  Part of the total run time spent waiting due to load imbalance: 0.1%.
-76: 
+76:  Average load imbalance: 4.7%.
+76:  The balanceable part of the MD step is 5%, load imbalance is computed from this.
+76:  Part of the total run time spent waiting due to load imbalance: 0.2%.
 76: 
-76: NOTE: 19 % of the run time was spent communicating energies,
-76:       you might want to increase some nst* mdp options
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.062        0.016      398.7
+76:        Time:        0.053        0.013      398.2
 76:                  (ns/day)    (hour/ns)
-76: Performance:      115.988        0.207
-76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme0 (37 ms)
+76: Performance:      137.504        0.175
+76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme0 (24 ms)
 76: [ RUN      ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme1
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DomainDecomposition_DomDecSpecialCasesTest_PME_No.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 76: Can not increase nstlist because an NVE ensemble is used
@@ -182715,10 +182678,10 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.365        0.091      399.7
+76:        Time:        0.127        0.032      399.2
 76:                  (ns/day)    (hour/ns)
-76: Performance:       19.896        1.206
-76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme1 (136 ms)
+76: Performance:       57.024        0.421
+76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme1 (41 ms)
 76: [ RUN      ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme2
 76: ./src/programs/mdrun/tests/domain_decomposition.cpp:385: Skipped
 76: Test configuration is invalid:
@@ -182743,10 +182706,10 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        1.277        0.319      399.7
+76:        Time:        0.040        0.010      398.4
 76:                  (ns/day)    (hour/ns)
-76: Performance:        5.680        4.226
-76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme0 (391 ms)
+76: Performance:      180.938        0.133
+76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme0 (27 ms)
 76: [ RUN      ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme1
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DomainDecomposition_DomDecSpecialCasesTest_PME_TemperatureAndPressure.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 76: Changing nstlist from 10 to 100, rlist from 1 to 1
@@ -182765,20 +182728,20 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.790        0.198      399.7
+76:        Time:        0.225        0.056      399.6
 76:                  (ns/day)    (hour/ns)
-76: Performance:        9.176        2.616
-76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme1 (609 ms)
+76: Performance:       32.170        0.746
+76: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme1 (71 ms)
 76: [ RUN      ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme2
 76: ./src/programs/mdrun/tests/domain_decomposition.cpp:385: Skipped
 76: Test configuration is invalid:
 76:   Cannot use two separate PME ranks when there are less than four ranks total
 76: 
 76: [  SKIPPED ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme2 (0 ms)
-76: [----------] 12 tests from DomainDecomposition/DomDecSpecialCasesTest (1232 ms total)
+76: [----------] 12 tests from DomainDecomposition/DomDecSpecialCasesTest (221 ms total)
 76: 
 76: [----------] Global test environment tear-down
-76: [==========] 16 tests from 2 test suites ran. (1621 ms total)
+76: [==========] 16 tests from 2 test suites ran. (276 ms total)
 76: [  PASSED  ] 10 tests.
 76: [  SKIPPED ] 6 tests, listed below:
 76: [  SKIPPED ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_No_coupling_nbcpu_pmecpu_updatecpu_npme1
@@ -182787,7 +182750,7 @@
 76: [  SKIPPED ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme2
 76: [  SKIPPED ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme2
 76: [  SKIPPED ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme2
-76/92 Test #76: MdrunMpiTests .............................   Passed    1.65 sec
+76/92 Test #76: MdrunMpiTests .............................   Passed    0.29 sec
 test 77
       Start 77: MdrunMultiSimTests
 
@@ -182804,7 +182767,7 @@
 77: [----------] 2 tests from InNvt/MultiSimTerminationTest (0 ms total)
 77: 
 77: [----------] Global test environment tear-down
-77: [==========] 2 tests from 1 test suite ran. (15 ms total)
+77: [==========] 2 tests from 1 test suite ran. (10 ms total)
 77: [  PASSED  ] 2 tests.
 77: 
 77:   YOU HAVE 4 DISABLED TESTS
@@ -182824,12 +182787,12 @@
 78: [----------] 1 test from InNvt/ReplicaExchangeTerminationTest (0 ms total)
 78: 
 78: [----------] Global test environment tear-down
-78: [==========] 1 test from 1 test suite ran. (15 ms total)
+78: [==========] 1 test from 1 test suite ran. (7 ms total)
 78: [  PASSED  ] 1 test.
 78: 
 78:   YOU HAVE 4 DISABLED TESTS
 78: 
-78/92 Test #78: MdrunMultiSimReplexTests ..................   Passed    0.04 sec
+78/92 Test #78: MdrunMultiSimReplexTests ..................   Passed    0.02 sec
 test 79
       Start 79: MdrunMultiSimReplexEquivalenceTests
 
@@ -182842,7 +182805,7 @@
 79: 
 79:   YOU HAVE 10 DISABLED TESTS
 79: 
-79/92 Test #79: MdrunMultiSimReplexEquivalenceTests .......   Passed    0.02 sec
+79/92 Test #79: MdrunMultiSimReplexEquivalenceTests .......   Passed    0.01 sec
 test 80
       Start 80: MdrunMpi1RankPmeTests
 
@@ -182889,7 +182852,7 @@
 80: 
 80: 
 80: There were 3 NOTEs
-80: Setting the LD random seed to -13192290
+80: Setting the LD random seed to -1073807562
 80: 
 80: Generated 8 of the 10 non-bonded parameter combinations
 80: 
@@ -182914,7 +182877,7 @@
 80: Estimate for the relative computational load of the PME mesh part: 1.00
 80: 
 80: This run will generate roughly 0 Mb of data
-80: Setting the LD random seed to -394281
+80: Setting the LD random seed to -67653634
 80: 
 80: Generated 8 of the 10 non-bonded parameter combinations
 80: 
@@ -182958,11 +182921,11 @@
 80: Writing final coordinates.
 80: 
 80:                Core t (s)   Wall t (s)        (%)
-80:        Time:        0.431        0.216      200.0
+80:        Time:        0.032        0.016      199.5
 80:                  (ns/day)    (hour/ns)
-80: Performance:        8.415        2.852
+80: Performance:      113.788        0.211
 80: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__notunepme__npme_0__pme_cpu.edr as double precision energy file
-80: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_cpu (239 ms)
+80: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_cpu (24 ms)
 80: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_auto
 80: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_basic.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 80: Can not increase nstlist because an NVE ensemble is used
@@ -182980,11 +182943,11 @@
 80: Writing final coordinates.
 80: 
 80:                Core t (s)   Wall t (s)        (%)
-80:        Time:        0.429        0.215      200.0
+80:        Time:        0.024        0.012      199.2
 80:                  (ns/day)    (hour/ns)
-80: Performance:        8.455        2.839
+80: Performance:      148.098        0.162
 80: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__notunepme__npme_0__pme_auto.edr as double precision energy file
-80: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_auto (236 ms)
+80: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_auto (16 ms)
 80: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_gpu__pmefft_cpu
 80: ./src/programs/mdrun/tests/pmetest.cpp:309: Skipped
 80: Test is being skipped because:
@@ -183026,16 +182989,12 @@
 80: starting mdrun 'spc-and-methanol'
 80: 0 steps,      0.0 ps.
 80: 
-80: NOTE: 22 % of the run time was spent in domain decomposition,
-80:       7 % of the run time was spent in pair search,
-80:       you might want to increase nstlist (this has no effect on accuracy)
-80: 
 80:                Core t (s)   Wall t (s)        (%)
-80:        Time:        0.055        0.028      199.5
+80:        Time:        0.006        0.003      196.1
 80:                  (ns/day)    (hour/ns)
-80: Performance:        3.131        7.666
+80: Performance:       26.527        0.905
 80: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_with_walls__notunepme__npme_0__pme_cpu.edr as double precision energy file
-80: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_cpu (56 ms)
+80: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_cpu (15 ms)
 80: [ RUN      ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_gpu__pmefft_cpu
 80: ./src/programs/mdrun/tests/pmetest.cpp:309: Skipped
 80: Test is being skipped because:
@@ -183121,7 +183080,7 @@
 80:     Double-precision build of GROMACS.
 80:     Non-GPU build of GROMACS.
 80: 
-80: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_1__pme_gpu__pmefft_gpu (5 ms)
+80: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_1__pme_gpu__pmefft_gpu (0 ms)
 80: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_cpu
 80: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_basic.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 80: Can not increase nstlist because an NVE ensemble is used
@@ -183139,11 +183098,11 @@
 80: Writing final coordinates.
 80: 
 80:                Core t (s)   Wall t (s)        (%)
-80:        Time:        0.468        0.234      200.0
+80:        Time:        0.030        0.015      199.5
 80:                  (ns/day)    (hour/ns)
-80: Performance:        7.753        3.096
+80: Performance:      118.701        0.202
 80: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__tunepme__npme_0__pme_cpu.edr as double precision energy file
-80: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_cpu (255 ms)
+80: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_cpu (19 ms)
 80: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_cpu
 80: ./src/programs/mdrun/tests/pmetest.cpp:309: Skipped
 80: Test is being skipped because:
@@ -183162,10 +183121,10 @@
 80:     Non-GPU build of GROMACS.
 80: 
 80: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_gpu (0 ms)
-80: [----------] 19 tests from ReproducesEnergies/PmeTest (801 ms total)
+80: [----------] 19 tests from ReproducesEnergies/PmeTest (78 ms total)
 80: 
 80: [----------] Global test environment tear-down
-80: [==========] 19 tests from 1 test suite ran. (828 ms total)
+80: [==========] 19 tests from 1 test suite ran. (93 ms total)
 80: [  PASSED  ] 4 tests.
 80: [  SKIPPED ] 15 tests, listed below:
 80: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_gpu__pmefft_cpu
@@ -183183,7 +183142,7 @@
 80: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_1__pme_gpu__pmefft_gpu
 80: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_cpu
 80: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_gpu
-80/92 Test #80: MdrunMpi1RankPmeTests .....................   Passed    0.85 sec
+80/92 Test #80: MdrunMpi1RankPmeTests .....................   Passed    0.11 sec
 test 81
       Start 81: MdrunMpi2RankPmeTests
 
@@ -183230,7 +183189,7 @@
 81: 
 81: 
 81: There were 3 NOTEs
-81: Setting the LD random seed to -1627408515
+81: Setting the LD random seed to -285282371
 81: 
 81: Generated 8 of the 10 non-bonded parameter combinations
 81: 
@@ -183255,7 +183214,7 @@
 81: Estimate for the relative computational load of the PME mesh part: 1.00
 81: 
 81: This run will generate roughly 0 Mb of data
-81: Setting the LD random seed to 1543430965
+81: Setting the LD random seed to 1698427149
 81: 
 81: Generated 8 of the 10 non-bonded parameter combinations
 81: 
@@ -183301,18 +183260,21 @@
 81: 
 81: Dynamic load balancing report:
 81:  DLB was turned on during the run due to measured imbalance.
-81:  Average load imbalance: 7.6%.
-81:  The balanceable part of the MD step is 29%, load imbalance is computed from this.
-81:  Part of the total run time spent waiting due to load imbalance: 2.2%.
+81:  Average load imbalance: 16.6%.
+81:  The balanceable part of the MD step is 21%, load imbalance is computed from this.
+81:  Part of the total run time spent waiting due to load imbalance: 3.5%.
 81:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 81: 
 81: 
+81: NOTE: 7 % of the run time was spent communicating energies,
+81:       you might want to increase some nst* mdp options
+81: 
 81:                Core t (s)   Wall t (s)        (%)
-81:        Time:        1.220        0.305      399.9
+81:        Time:        0.289        0.072      399.7
 81:                  (ns/day)    (hour/ns)
-81: Performance:        5.947        4.036
+81: Performance:       25.130        0.955
 81: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__notunepme__npme_0__pme_cpu.edr as double precision energy file
-81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_cpu (581 ms)
+81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_cpu (93 ms)
 81: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_auto
 81: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_basic.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 81: Can not increase nstlist because an NVE ensemble is used
@@ -183331,22 +183293,18 @@
 81: 
 81: 
 81: Dynamic load balancing report:
-81:  DLB was turned on during the run due to measured imbalance.
-81:  Average load imbalance: 24.2%.
-81:  The balanceable part of the MD step is 19%, load imbalance is computed from this.
-81:  Part of the total run time spent waiting due to load imbalance: 4.5%.
-81:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
-81: 
+81:  DLB was off during the run due to low measured imbalance.
+81:  Average load imbalance: 7.4%.
+81:  The balanceable part of the MD step is 9%, load imbalance is computed from this.
+81:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 81: 
-81: NOTE: 12 % of the run time was spent communicating energies,
-81:       you might want to increase some nst* mdp options
 81: 
 81:                Core t (s)   Wall t (s)        (%)
-81:        Time:        6.531        1.633      400.0
+81:        Time:        0.026        0.007      397.3
 81:                  (ns/day)    (hour/ns)
-81: Performance:        1.111       21.597
+81: Performance:      277.966        0.086
 81: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__notunepme__npme_0__pme_auto.edr as double precision energy file
-81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_auto (2252 ms)
+81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_auto (13 ms)
 81: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_gpu__pmefft_cpu
 81: ./src/programs/mdrun/tests/pmetest.cpp:309: Skipped
 81: Test is being skipped because:
@@ -183391,16 +183349,12 @@
 81: starting mdrun 'spc-and-methanol'
 81: 0 steps,      0.0 ps.
 81: 
-81: NOTE: 30 % of the run time was spent in domain decomposition,
-81:       6 % of the run time was spent in pair search,
-81:       you might want to increase nstlist (this has no effect on accuracy)
-81: 
 81:                Core t (s)   Wall t (s)        (%)
-81:        Time:        0.130        0.037      354.0
+81:        Time:        0.004        0.001      375.8
 81:                  (ns/day)    (hour/ns)
-81: Performance:        2.361       10.164
+81: Performance:       72.456        0.331
 81: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_with_walls__notunepme__npme_0__pme_cpu.edr as double precision energy file
-81: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_cpu (317 ms)
+81: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_cpu (13 ms)
 81: [ RUN      ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_gpu__pmefft_cpu
 81: ./src/programs/mdrun/tests/pmetest.cpp:309: Skipped
 81: Test is being skipped because:
@@ -183410,7 +183364,7 @@
 81:     Double-precision build of GROMACS.
 81:     Non-GPU build of GROMACS.
 81: 
-81: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_gpu__pmefft_cpu (2 ms)
+81: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_gpu__pmefft_cpu (0 ms)
 81: [ RUN      ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_gpu__pmefft_gpu
 81: ./src/programs/mdrun/tests/pmetest.cpp:309: Skipped
 81: Test is being skipped because:
@@ -183438,11 +183392,11 @@
 81: Writing final coordinates.
 81: 
 81:                Core t (s)   Wall t (s)        (%)
-81:        Time:        1.093        0.273      399.9
+81:        Time:        0.332        0.083      399.7
 81:                  (ns/day)    (hour/ns)
-81: Performance:        6.638        3.615
+81: Performance:       21.815        1.100
 81: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__notunepme__npme_1__pme_cpu.edr as double precision energy file
-81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_1__pme_cpu (347 ms)
+81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_1__pme_cpu (98 ms)
 81: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_1__pme_auto
 81: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_basic.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 81: Can not increase nstlist because an NVE ensemble is used
@@ -183460,11 +183414,11 @@
 81: Writing final coordinates.
 81: 
 81:                Core t (s)   Wall t (s)        (%)
-81:        Time:        0.923        0.231      399.9
+81:        Time:        0.201        0.050      399.5
 81:                  (ns/day)    (hour/ns)
-81: Performance:        7.863        3.052
+81: Performance:       36.120        0.664
 81: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__notunepme__npme_1__pme_auto.edr as double precision energy file
-81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_1__pme_auto (286 ms)
+81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_1__pme_auto (54 ms)
 81: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_1__pme_gpu__pmefft_cpu
 81: ./src/programs/mdrun/tests/pmetest.cpp:309: Skipped
 81: Test is being skipped because:
@@ -183506,16 +183460,12 @@
 81: starting mdrun 'spc-and-methanol'
 81: 0 steps,      0.0 ps.
 81: 
-81: NOTE: 27 % of the run time was spent in domain decomposition,
-81:       4 % of the run time was spent in pair search,
-81:       you might want to increase nstlist (this has no effect on accuracy)
-81: 
 81:                Core t (s)   Wall t (s)        (%)
-81:        Time:        0.084        0.037      228.4
+81:        Time:        0.010        0.003      365.8
 81:                  (ns/day)    (hour/ns)
-81: Performance:        2.354       10.195
+81: Performance:       31.437        0.763
 81: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_with_walls__notunepme__npme_1__pme_cpu.edr as double precision energy file
-81: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_1__pme_cpu (100 ms)
+81: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_1__pme_cpu (20 ms)
 81: [ RUN      ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_1__pme_gpu__pmefft_cpu
 81: ./src/programs/mdrun/tests/pmetest.cpp:309: Skipped
 81: Test is being skipped because:
@@ -183552,27 +183502,22 @@
 81: 
 81: 
 81: Dynamic load balancing report:
-81:  DLB was turned on during the run due to measured imbalance.
-81:  Average load imbalance: 37.1%.
-81:  The balanceable part of the MD step is 17%, load imbalance is computed from this.
-81:  Part of the total run time spent waiting due to load imbalance: 6.4%.
-81:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+81:  DLB was off during the run due to low measured imbalance.
+81:  Average load imbalance: 14.6%.
+81:  The balanceable part of the MD step is 4%, load imbalance is computed from this.
+81:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 81: 
-81: NOTE: 6.4 % of the available CPU time was lost due to load imbalance
-81:       in the domain decomposition.
-81:       You can consider manually changing the decomposition (option -dd);
-81:       e.g. by using fewer domains along the box dimension in which there is
-81:       considerable inhomogeneity in the simulated system.
 81: 
-81: NOTE: 8 % of the run time was spent communicating energies,
-81:       you might want to increase some nst* mdp options
+81: NOTE: 35 % of the run time was spent in domain decomposition,
+81:       11 % of the run time was spent in pair search,
+81:       you might want to increase nstlist (this has no effect on accuracy)
 81: 
 81:                Core t (s)   Wall t (s)        (%)
-81:        Time:        1.433        0.358      399.9
+81:        Time:        0.075        0.019      399.0
 81:                  (ns/day)    (hour/ns)
-81: Performance:        5.065        4.738
+81: Performance:       96.537        0.249
 81: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__tunepme__npme_0__pme_cpu.edr as double precision energy file
-81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_cpu (421 ms)
+81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_cpu (41 ms)
 81: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_cpu
 81: ./src/programs/mdrun/tests/pmetest.cpp:309: Skipped
 81: Test is being skipped because:
@@ -183593,10 +183538,10 @@
 81:     Non-GPU build of GROMACS.
 81: 
 81: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_gpu (0 ms)
-81: [----------] 19 tests from ReproducesEnergies/PmeTest (4312 ms total)
+81: [----------] 19 tests from ReproducesEnergies/PmeTest (337 ms total)
 81: 
 81: [----------] Global test environment tear-down
-81: [==========] 19 tests from 1 test suite ran. (4325 ms total)
+81: [==========] 19 tests from 1 test suite ran. (351 ms total)
 81: [  PASSED  ] 7 tests.
 81: [  SKIPPED ] 12 tests, listed below:
 81: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_gpu__pmefft_cpu
@@ -183611,7 +183556,7 @@
 81: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_1__pme_gpu__pmefft_gpu
 81: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_cpu
 81: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_gpu
-81/92 Test #81: MdrunMpi2RankPmeTests .....................   Passed    4.34 sec
+81/92 Test #81: MdrunMpi2RankPmeTests .....................   Passed    0.36 sec
 test 82
       Start 82: MdrunCoordinationBasicTests1Rank
 
@@ -183668,9 +183613,9 @@
 82: Writing final coordinates.
 82: 
 82:                Core t (s)   Wall t (s)        (%)
-82:        Time:        0.002        0.002       98.7
+82:        Time:        0.002        0.002       98.3
 82:                  (ns/day)    (hour/ns)
-82: Performance:      590.831        0.041
+82: Performance:      941.987        0.025
 82: 
 82: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 82:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -183717,9 +183662,9 @@
 82: Writing final coordinates.
 82: 
 82:                Core t (s)   Wall t (s)        (%)
-82:        Time:        0.001        0.001       97.8
+82:        Time:        0.001        0.001       96.3
 82:                  (ns/day)    (hour/ns)
-82: Performance:     1109.417        0.022
+82: Performance:     2306.475        0.010
 82: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 82: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 82: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -183781,9 +183726,9 @@
 82: Writing final coordinates.
 82: 
 82:                Core t (s)   Wall t (s)        (%)
-82:        Time:        0.001        0.001       95.4
+82:        Time:        0.001        0.001       96.0
 82:                  (ns/day)    (hour/ns)
-82: Performance:     2700.830        0.009
+82: Performance:     2467.198        0.010
 82: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 82: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 82: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -183841,9 +183786,9 @@
 82: Writing final coordinates.
 82: 
 82:                Core t (s)   Wall t (s)        (%)
-82:        Time:        0.001        0.001       97.9
+82:        Time:        0.001        0.001       95.6
 82:                  (ns/day)    (hour/ns)
-82: Performance:     1009.933        0.024
+82: Performance:     2603.801        0.009
 82: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 82: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 82: 
@@ -183901,9 +183846,9 @@
 82: Writing final coordinates.
 82: 
 82:                Core t (s)   Wall t (s)        (%)
-82:        Time:        0.001        0.001       97.7
+82:        Time:        0.001        0.001       95.7
 82:                  (ns/day)    (hour/ns)
-82: Performance:     1072.153        0.022
+82: Performance:     2696.102        0.009
 82: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 82: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 82: 
@@ -183961,18 +183906,18 @@
 82: Writing final coordinates.
 82: 
 82:                Core t (s)   Wall t (s)        (%)
-82:        Time:        0.001        0.001       97.6
+82:        Time:        0.001        0.001       95.5
 82:                  (ns/day)    (hour/ns)
-82: Performance:     1141.273        0.021
+82: Performance:     2516.582        0.010
 82: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 82: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
-82: [       OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (44 ms)
-82: [----------] 1 test from BasicPropagators/PeriodicActionsTest (45 ms total)
+82: [       OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (27 ms)
+82: [----------] 1 test from BasicPropagators/PeriodicActionsTest (27 ms total)
 82: 
 82: [----------] Global test environment tear-down
-82: [==========] 1 test from 1 test suite ran. (52 ms total)
+82: [==========] 1 test from 1 test suite ran. (34 ms total)
 82: [  PASSED  ] 1 test.
-82/92 Test #82: MdrunCoordinationBasicTests1Rank ..........   Passed    0.07 sec
+82/92 Test #82: MdrunCoordinationBasicTests1Rank ..........   Passed    0.05 sec
 test 83
       Start 83: MdrunCoordinationBasicTests2Ranks
 
@@ -184034,18 +183979,18 @@
 83: 
 83: Dynamic load balancing report:
 83:  DLB was off during the run due to low measured imbalance.
-83:  Average load imbalance: 1.6%.
-83:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
-83:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+83:  Average load imbalance: 3.5%.
+83:  The balanceable part of the MD step is 54%, load imbalance is computed from this.
+83:  Part of the total run time spent waiting due to load imbalance: 1.9%.
 83: 
 83: 
-83: NOTE: 37 % of the run time was spent communicating energies,
+83: NOTE: 36 % of the run time was spent communicating energies,
 83:       you might want to increase some nst* mdp options
 83: 
 83:                Core t (s)   Wall t (s)        (%)
-83:        Time:        0.004        0.002      195.8
+83:        Time:        0.004        0.002      195.5
 83:                  (ns/day)    (hour/ns)
-83: Performance:      715.724        0.034
+83: Performance:      732.924        0.033
 83: 
 83: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 83:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -184097,22 +184042,18 @@
 83: 
 83: Dynamic load balancing report:
 83:  DLB was off during the run due to low measured imbalance.
-83:  Average load imbalance: 1.2%.
-83:  The balanceable part of the MD step is 4%, load imbalance is computed from this.
-83:  Part of the total run time spent waiting due to load imbalance: 0.1%.
-83: 
+83:  Average load imbalance: 2.3%.
+83:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
+83:  Part of the total run time spent waiting due to load imbalance: 1.2%.
 83: 
-83: NOTE: 33 % of the run time was spent in domain decomposition,
-83:       0 % of the run time was spent in pair search,
-83:       you might want to increase nstlist (this has no effect on accuracy)
 83: 
-83: NOTE: 54 % of the run time was spent communicating energies,
+83: NOTE: 26 % of the run time was spent communicating energies,
 83:       you might want to increase some nst* mdp options
 83: 
 83:                Core t (s)   Wall t (s)        (%)
-83:        Time:        0.036        0.018      199.2
+83:        Time:        0.002        0.001      191.2
 83:                  (ns/day)    (hour/ns)
-83: Performance:       82.185        0.292
+83: Performance:     1616.742        0.015
 83: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 83: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 83: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -184179,22 +184120,18 @@
 83: 
 83: Dynamic load balancing report:
 83:  DLB was off during the run due to low measured imbalance.
-83:  Average load imbalance: 1.8%.
-83:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
-83:  Part of the total run time spent waiting due to load imbalance: 0.8%.
-83: 
+83:  Average load imbalance: 2.7%.
+83:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+83:  Part of the total run time spent waiting due to load imbalance: 1.2%.
 83: 
-83: NOTE: 11 % of the run time was spent in domain decomposition,
-83:       4 % of the run time was spent in pair search,
-83:       you might want to increase nstlist (this has no effect on accuracy)
 83: 
-83: NOTE: 30 % of the run time was spent communicating energies,
+83: NOTE: 28 % of the run time was spent communicating energies,
 83:       you might want to increase some nst* mdp options
 83: 
 83:                Core t (s)   Wall t (s)        (%)
-83:        Time:        0.002        0.001      191.7
+83:        Time:        0.002        0.001      190.9
 83:                  (ns/day)    (hour/ns)
-83: Performance:     1532.677        0.016
+83: Performance:     1811.140        0.013
 83: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 83: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 83: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -184257,18 +184194,18 @@
 83: 
 83: Dynamic load balancing report:
 83:  DLB was off during the run due to low measured imbalance.
-83:  Average load imbalance: 2.3%.
-83:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
-83:  Part of the total run time spent waiting due to load imbalance: 1.0%.
+83:  Average load imbalance: 2.7%.
+83:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
+83:  Part of the total run time spent waiting due to load imbalance: 1.2%.
 83: 
 83: 
-83: NOTE: 44 % of the run time was spent communicating energies,
+83: NOTE: 32 % of the run time was spent communicating energies,
 83:       you might want to increase some nst* mdp options
 83: 
 83:                Core t (s)   Wall t (s)        (%)
-83:        Time:        0.006        0.003      197.2
+83:        Time:        0.002        0.001      190.9
 83:                  (ns/day)    (hour/ns)
-83: Performance:      454.455        0.053
+83: Performance:     1725.415        0.014
 83: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 83: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 83: 
@@ -184331,22 +184268,18 @@
 83: 
 83: Dynamic load balancing report:
 83:  DLB was off during the run due to low measured imbalance.
-83:  Average load imbalance: 1.9%.
-83:  The balanceable part of the MD step is 39%, load imbalance is computed from this.
-83:  Part of the total run time spent waiting due to load imbalance: 0.8%.
-83: 
+83:  Average load imbalance: 2.6%.
+83:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
+83:  Part of the total run time spent waiting due to load imbalance: 1.1%.
 83: 
-83: NOTE: 11 % of the run time was spent in domain decomposition,
-83:       4 % of the run time was spent in pair search,
-83:       you might want to increase nstlist (this has no effect on accuracy)
 83: 
-83: NOTE: 34 % of the run time was spent communicating energies,
+83: NOTE: 31 % of the run time was spent communicating energies,
 83:       you might want to increase some nst* mdp options
 83: 
 83:                Core t (s)   Wall t (s)        (%)
-83:        Time:        0.002        0.001      193.0
+83:        Time:        0.002        0.001      190.6
 83:                  (ns/day)    (hour/ns)
-83: Performance:     1216.547        0.020
+83: Performance:     1824.010        0.013
 83: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 83: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 83: 
@@ -184409,31 +184342,27 @@
 83: 
 83: Dynamic load balancing report:
 83:  DLB was off during the run due to low measured imbalance.
-83:  Average load imbalance: 1.3%.
-83:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
-83:  Part of the total run time spent waiting due to load imbalance: 0.5%.
-83: 
+83:  Average load imbalance: 1.5%.
+83:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+83:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 83: 
-83: NOTE: 11 % of the run time was spent in domain decomposition,
-83:       3 % of the run time was spent in pair search,
-83:       you might want to increase nstlist (this has no effect on accuracy)
 83: 
-83: NOTE: 35 % of the run time was spent communicating energies,
+83: NOTE: 31 % of the run time was spent communicating energies,
 83:       you might want to increase some nst* mdp options
 83: 
 83:                Core t (s)   Wall t (s)        (%)
-83:        Time:        0.002        0.001      193.0
+83:        Time:        0.002        0.001      190.8
 83:                  (ns/day)    (hour/ns)
-83: Performance:     1237.937        0.019
+83: Performance:     1767.492        0.014
 83: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 83: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
-83: [       OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (389 ms)
-83: [----------] 1 test from BasicPropagators/PeriodicActionsTest (390 ms total)
+83: [       OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (34 ms)
+83: [----------] 1 test from BasicPropagators/PeriodicActionsTest (34 ms total)
 83: 
 83: [----------] Global test environment tear-down
-83: [==========] 1 test from 1 test suite ran. (402 ms total)
+83: [==========] 1 test from 1 test suite ran. (42 ms total)
 83: [  PASSED  ] 1 test.
-83/92 Test #83: MdrunCoordinationBasicTests2Ranks .........   Passed    0.42 sec
+83/92 Test #83: MdrunCoordinationBasicTests2Ranks .........   Passed    0.05 sec
 test 84
       Start 84: MdrunCoordinationCouplingTests1Rank
 
@@ -184490,9 +184419,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.009        0.009       99.6
+84:        Time:        0.002        0.002       98.4
 84:                  (ns/day)    (hour/ns)
-84: Performance:      159.242        0.151
+84: Performance:      842.878        0.028
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -184539,9 +184468,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.005        0.005       99.3
+84:        Time:        0.001        0.001       96.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:      274.390        0.087
+84: Performance:     2200.212        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -184597,13 +184526,10 @@
 84: 
 84: Writing final coordinates.
 84: 
-84: NOTE: 14 % of the run time was spent in pair search,
-84:       you might want to increase nstlist (this has no effect on accuracy)
-84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.7
+84:        Time:        0.001        0.001       95.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2173.816        0.011
+84: Performance:     2634.984        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -184661,9 +184587,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.002        0.002       98.2
+84:        Time:        0.001        0.001       95.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:      757.295        0.032
+84: Performance:     2642.897        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 84: 
@@ -184721,9 +184647,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.1
+84:        Time:        0.001        0.001       95.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2109.792        0.011
+84: Performance:     2775.042        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 84: 
@@ -184781,12 +184707,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.0
+84:        Time:        0.001        0.001       95.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2186.158        0.011
+84: Performance:     2543.598        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (68 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (26 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -184842,9 +184768,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.0
+84:        Time:        0.001        0.001       96.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1636.280        0.015
+84: Performance:     1846.147        0.013
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -184899,9 +184825,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.6
+84:        Time:        0.001        0.001       96.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1910.262        0.013
+84: Performance:     2285.935        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -184958,9 +184884,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.3
+84:        Time:        0.001        0.001       95.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2167.697        0.011
+84: Performance:     2662.314        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -185018,9 +184944,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.4
+84:        Time:        0.001        0.001       95.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2662.314        0.009
+84: Performance:     2520.701        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 84: 
@@ -185078,9 +185004,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.1
+84:        Time:        0.001        0.001       93.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2096.866        0.011
+84: Performance:     2434.055        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 84: 
@@ -185138,12 +185064,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.5
+84:        Time:        0.001        0.001       82.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2583.058        0.009
+84: Performance:     2111.238        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (37 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (25 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -185191,9 +185117,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.9
+84:        Time:        0.001        0.001       96.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1642.825        0.015
+84: Performance:     1807.686        0.013
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -185240,9 +185166,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.6
+84:        Time:        0.001        0.001       96.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1911.447        0.013
+84: Performance:     2106.906        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -185291,9 +185217,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.6
+84:        Time:        0.001        0.001       95.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1862.895        0.013
+84: Performance:     2628.240        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -185343,9 +185269,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.9
+84:        Time:        0.001        0.001       94.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2002.794        0.012
+84: Performance:     2435.980        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 84: 
@@ -185395,9 +185321,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.4
+84:        Time:        0.001        0.001       93.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2463.252        0.010
+84: Performance:     2420.666        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 84: 
@@ -185447,12 +185373,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.8
+84:        Time:        0.001        0.001       93.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2199.427        0.011
+84: Performance:     2507.364        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (32 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (25 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -185500,9 +185426,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.9
+84:        Time:        0.001        0.001       96.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1701.351        0.014
+84: Performance:     1926.992        0.012
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -185549,9 +185475,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.6
+84:        Time:        0.001        0.001       96.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1860.644        0.013
+84: Performance:     2193.944        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -185602,7 +185528,7 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       95.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2617.075        0.009
+84: Performance:     2796.457        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -185652,9 +185578,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.0
+84:        Time:        0.001        0.001       95.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2074.973        0.012
+84: Performance:     2514.528        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 84: 
@@ -185704,9 +185630,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.9
+84:        Time:        0.001        0.001       95.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2139.838        0.011
+84: Performance:     2607.107        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 84: 
@@ -185756,12 +185682,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.1
+84:        Time:        0.001        0.001       95.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2131.693        0.011
+84: Performance:     2620.414        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (30 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (24 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -185805,9 +185731,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.9
+84:        Time:        0.001        0.001       96.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1754.655        0.014
+84: Performance:     2056.960        0.012
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -185850,9 +185776,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.7
+84:        Time:        0.001        0.001       96.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2061.089        0.012
+84: Performance:     2303.887        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -185905,9 +185831,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.4
+84:        Time:        0.000        0.001       95.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2291.035        0.010
+84: Performance:     2806.649        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -185961,9 +185887,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.5
+84:        Time:        0.001        0.001       96.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2686.696        0.009
+84: Performance:     2102.592        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 84: 
@@ -186017,9 +185943,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.2
+84:        Time:        0.001        0.001       95.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2130.956        0.011
+84: Performance:     2649.718        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 84: 
@@ -186073,12 +185999,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.1
+84:        Time:        0.001        0.001       95.4
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2201.785        0.011
+84: Performance:     2722.313        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (29 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (24 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
@@ -186130,9 +186056,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.8
+84:        Time:        0.001        0.001       96.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1660.537        0.014
+84: Performance:     1899.659        0.013
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -186183,9 +186109,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.5
+84:        Time:        0.001        0.001       96.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1965.729        0.012
+84: Performance:     2271.605        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -186238,9 +186164,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.2
+84:        Time:        0.001        0.001       96.4
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2233.718        0.011
+84: Performance:     2176.888        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -186294,9 +186220,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.1
+84:        Time:        0.001        0.001       95.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2186.934        0.011
+84: Performance:     2274.121        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 84: 
@@ -186350,9 +186276,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.0
+84:        Time:        0.001        0.001       95.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2196.290        0.011
+84: Performance:     2432.133        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 84: 
@@ -186406,12 +186332,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.0
+84:        Time:        0.001        0.001       96.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2222.436        0.011
+84: Performance:     2031.858        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (29 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (25 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
@@ -186455,9 +186381,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.0
+84:        Time:        0.001        0.001       96.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1640.637        0.015
+84: Performance:     1873.660        0.013
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -186500,9 +186426,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.8
+84:        Time:        0.001        0.001       96.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1749.175        0.014
+84: Performance:     2212.857        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -186547,9 +186473,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.1
+84:        Time:        0.001        0.001       95.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2272.443        0.011
+84: Performance:     2506.344        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -186595,9 +186521,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.1
+84:        Time:        0.001        0.001       95.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2185.383        0.011
+84: Performance:     2438.873        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 84: 
@@ -186643,9 +186569,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.4
+84:        Time:        0.001        0.001       95.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2676.192        0.009
+84: Performance:     2580.894        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 84: 
@@ -186691,12 +186617,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.1
+84:        Time:        0.001        0.001       95.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2091.882        0.011
+84: Performance:     2550.970        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (28 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (25 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -186740,9 +186666,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.9
+84:        Time:        0.001        0.001       96.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1744.716        0.014
+84: Performance:     1903.768        0.013
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -186785,9 +186711,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.4
+84:        Time:        0.001        0.001       96.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1975.182        0.012
+84: Performance:     2320.374        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -186832,9 +186758,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.0
+84:        Time:        0.001        0.001       95.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2241.846        0.011
+84: Performance:     2765.078        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -186882,7 +186808,7 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       96.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2046.709        0.012
+84: Performance:     2096.153        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 84: 
@@ -186928,9 +186854,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.3
+84:        Time:        0.001        0.001       95.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2730.760        0.009
+84: Performance:     2535.224        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 84: 
@@ -186976,12 +186902,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.0
+84:        Time:        0.001        0.001       95.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2219.234        0.011
+84: Performance:     2554.143        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (29 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (25 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
@@ -187030,9 +186956,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.1
+84:        Time:        0.001        0.001       96.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1591.885        0.015
+84: Performance:     1910.262        0.013
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -187080,9 +187006,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.5
+84:        Time:        0.001        0.001       96.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2054.216        0.012
+84: Performance:     2329.147        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -187140,9 +187066,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.9
+84:        Time:        0.001        0.001       95.4
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2430.214        0.010
+84: Performance:     2717.509        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -187201,9 +187127,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       93.8
+84:        Time:        0.001        0.001       96.4
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2236.150        0.011
+84: Performance:     1972.021        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 84: 
@@ -187262,9 +187188,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.4
+84:        Time:        0.001        0.001       95.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1877.657        0.013
+84: Performance:     2426.386        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 84: 
@@ -187323,12 +187249,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.9
+84:        Time:        0.001        0.001       95.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1628.494        0.015
+84: Performance:     2502.272        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (30 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (25 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
@@ -187385,9 +187311,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.4
+84:        Time:        0.001        0.001       96.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1359.354        0.018
+84: Performance:     1829.155        0.013
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -187443,9 +187369,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.1
+84:        Time:        0.001        0.001       96.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2320.374        0.010
+84: Performance:     2235.339        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -187505,7 +187431,7 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       95.4
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2796.457        0.009
+84: Performance:     2702.015        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -187564,9 +187490,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.1
+84:        Time:        0.001        0.001       95.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2179.969        0.011
+84: Performance:     2456.377        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 84: 
@@ -187625,9 +187551,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.1
+84:        Time:        0.001        0.001       95.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2162.371        0.011
+84: Performance:     2510.429        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 84: 
@@ -187686,12 +187612,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.1
+84:        Time:        0.001        0.001       95.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2192.382        0.011
+84: Performance:     2521.733        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (29 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (25 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
@@ -187740,9 +187666,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.0
+84:        Time:        0.001        0.001       96.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1706.063        0.014
+84: Performance:     1912.634        0.013
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -187790,9 +187716,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.6
+84:        Time:        0.001        0.001       96.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2041.284        0.012
+84: Performance:     2247.572        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -187844,7 +187770,7 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       95.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2800.270        0.009
+84: Performance:     2757.652        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -187895,9 +187821,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.9
+84:        Time:        0.001        0.001       95.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2274.961        0.011
+84: Performance:     2479.112        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 84: 
@@ -187948,9 +187874,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.0
+84:        Time:        0.001        0.001       95.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2197.073        0.011
+84: Performance:     2459.319        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 84: 
@@ -188001,12 +187927,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.7
+84:        Time:        0.001        0.001       95.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1821.045        0.013
+84: Performance:     2454.420        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (29 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (25 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
@@ -188055,9 +187981,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.7
+84:        Time:        0.001        0.001       96.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1723.725        0.014
+84: Performance:     1941.568        0.012
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -188105,9 +188031,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.1
+84:        Time:        0.001        0.001       96.4
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2312.535        0.010
+84: Performance:     2081.985        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -188157,9 +188083,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.0
+84:        Time:        0.001        0.001       96.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2220.834        0.011
+84: Performance:     2430.214        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -188210,9 +188136,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.9
+84:        Time:        0.001        0.001       95.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2183.059        0.011
+84: Performance:     2248.392        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 84: 
@@ -188263,9 +188189,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.9
+84:        Time:        0.001        0.001       95.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2171.517        0.011
+84: Performance:     2455.398        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 84: 
@@ -188316,12 +188242,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.0
+84:        Time:        0.001        0.001       95.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2052.163        0.012
+84: Performance:     2458.337        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (29 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (25 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
@@ -188365,9 +188291,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.4
+84:        Time:        0.001        0.001       97.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1714.133        0.014
+84: Performance:     1897.903        0.013
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -188410,9 +188336,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.3
+84:        Time:        0.001        0.001       97.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1989.213        0.012
+84: Performance:     2170.752        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -188465,9 +188391,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.9
+84:        Time:        0.001        0.001       96.4
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2224.844        0.011
+84: Performance:     2805.371        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -188521,9 +188447,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.7
+84:        Time:        0.001        0.001       96.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2119.957        0.011
+84: Performance:     2527.942        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 84: 
@@ -188577,9 +188503,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.2
+84:        Time:        0.001        0.001       96.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2573.347        0.009
+84: Performance:     2614.853        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 84: 
@@ -188633,12 +188559,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.6
+84:        Time:        0.001        0.001       96.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2126.543        0.011
+84: Performance:     2587.398        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (30 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (26 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
@@ -188692,7 +188618,7 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       97.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1652.077        0.015
+84: Performance:     1660.537        0.014
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -188743,9 +188669,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.9
+84:        Time:        0.001        0.001       96.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1862.895        0.013
+84: Performance:     2153.301        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -188798,9 +188724,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.6
+84:        Time:        0.001        0.001       96.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2212.857        0.011
+84: Performance:     2452.466        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -188854,9 +188780,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.5
+84:        Time:        0.001        0.001       96.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2128.012        0.011
+84: Performance:     2173.049        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file
 84: 
@@ -188910,9 +188836,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.7
+84:        Time:        0.001        0.001       96.9
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2052.163        0.012
+84: Performance:     1945.860        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file
 84: 
@@ -188966,12 +188892,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.5
+84:        Time:        0.001        0.001       96.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2049.432        0.012
+84: Performance:     2471.157        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (32 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (27 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]:
@@ -189015,9 +188941,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.9
+84:        Time:        0.001        0.001       97.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1523.768        0.016
+84: Performance:     1811.407        0.013
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -189060,9 +188986,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.6
+84:        Time:        0.001        0.001       97.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2359.477        0.010
+84: Performance:     1816.213        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -189107,9 +189033,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.7
+84:        Time:        0.001        0.001       96.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2125.075        0.011
+84: Performance:     2607.107        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -189155,9 +189081,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.6
+84:        Time:        0.001        0.001       96.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2056.960        0.012
+84: Performance:     2585.226        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file
 84: 
@@ -189203,9 +189129,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.5
+84:        Time:        0.001        0.001       96.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2039.932        0.012
+84: Performance:     2428.299        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file
 84: 
@@ -189251,12 +189177,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.5
+84:        Time:        0.001        0.001       96.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2068.007        0.012
+84: Performance:     2495.178        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (30 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (25 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
@@ -189302,7 +189228,7 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       97.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1651.191        0.015
+84: Performance:     1883.398        0.013
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -189347,7 +189273,7 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       97.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1809.810        0.013
+84: Performance:     2226.452        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -189392,9 +189318,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.7
+84:        Time:        0.001        0.001       96.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2143.561        0.011
+84: Performance:     2753.953        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -189440,9 +189366,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.5
+84:        Time:        0.001        0.001       96.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2105.466        0.011
+84: Performance:     2565.845        0.009
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file
 84: 
@@ -189488,9 +189414,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.5
+84:        Time:        0.001        0.001       96.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2054.216        0.012
+84: Performance:     2410.248        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file
 84: 
@@ -189536,12 +189462,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.9
+84:        Time:        0.001        0.001       96.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2612.635        0.009
+84: Performance:     2400.855        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (29 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (24 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
@@ -189589,9 +189515,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       98.1
+84:        Time:        0.001        0.001       97.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1425.074        0.017
+84: Performance:     1605.994        0.015
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -189638,9 +189564,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.6
+84:        Time:        0.001        0.001       96.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1558.855        0.015
+84: Performance:     1813.540        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -189699,7 +189625,7 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       97.4
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1828.069        0.013
+84: Performance:     2037.233        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -189757,9 +189683,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.6
+84:        Time:        0.001        0.001       97.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1627.204        0.015
+84: Performance:     1982.173        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file
 84: 
@@ -189817,9 +189743,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.8
+84:        Time:        0.001        0.001       97.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1697.601        0.014
+84: Performance:     2022.519        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file
 84: 
@@ -189877,12 +189803,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.9
+84:        Time:        0.001        0.001       97.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1692.936        0.014
+84: Performance:     1727.592        0.014
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 (30 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 (25 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
@@ -189938,9 +189864,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.8
+84:        Time:        0.001        0.001       98.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1511.061        0.016
+84: Performance:     1470.660        0.016
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -189995,9 +189921,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.004        0.004       99.3
+84:        Time:        0.001        0.001       97.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:      327.447        0.073
+84: Performance:     1705.591        0.014
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -190054,9 +189980,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.6
+84:        Time:        0.001        0.001       97.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     2004.097        0.012
+84: Performance:     1928.802        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -190114,9 +190040,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       98.1
+84:        Time:        0.001        0.001       97.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1231.134        0.019
+84: Performance:     1847.254        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file
 84: 
@@ -190174,9 +190100,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.8
+84:        Time:        0.001        0.001       97.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1275.485        0.019
+84: Performance:     1823.200        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file
 84: 
@@ -190234,12 +190160,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       98.0
+84:        Time:        0.001        0.001       97.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1265.009        0.019
+84: Performance:     1890.333        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (44 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (26 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/18
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
@@ -190287,9 +190213,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       98.2
+84:        Time:        0.001        0.001       98.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1088.444        0.022
+84: Performance:     1375.440        0.017
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -190336,9 +190262,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       98.0
+84:        Time:        0.001        0.001       97.9
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1224.527        0.020
+84: Performance:     1768.761        0.014
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -190389,7 +190315,7 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       97.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1307.982        0.018
+84: Performance:     1923.983        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -190439,9 +190365,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       98.3
+84:        Time:        0.001        0.001       95.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1091.336        0.022
+84: Performance:     1784.128        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as double precision energy file
 84: 
@@ -190491,9 +190417,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       98.0
+84:        Time:        0.001        0.001       97.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1263.193        0.019
+84: Performance:     1727.108        0.014
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as double precision energy file
 84: 
@@ -190543,12 +190469,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.5
+84:        Time:        0.001        0.001       97.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1932.432        0.012
+84: Performance:     1787.752        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/18 (35 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/18 (26 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/19
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
@@ -190591,13 +190517,10 @@
 84: 
 84: Writing final coordinates.
 84: 
-84: NOTE: 11 % of the run time was spent in pair search,
-84:       you might want to increase nstlist (this has no effect on accuracy)
-84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.8
+84:        Time:        0.001        0.001       97.4
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1019.459        0.024
+84: Performance:     1607.671        0.015
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -190640,9 +190563,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.9
+84:        Time:        0.001        0.001       97.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1235.826        0.019
+84: Performance:     1750.169        0.014
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -190695,9 +190618,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.4
+84:        Time:        0.001        0.001       96.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1327.142        0.018
+84: Performance:     2027.845        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -190751,9 +190674,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.3
+84:        Time:        0.001        0.001       96.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1315.523        0.018
+84: Performance:     1886.859        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as double precision energy file
 84: 
@@ -190807,9 +190730,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.7
+84:        Time:        0.001        0.001       98.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1322.016        0.018
+84: Performance:     1000.584        0.024
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as double precision energy file
 84: 
@@ -190863,12 +190786,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.4
+84:        Time:        0.001        0.001       96.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1313.840        0.018
+84: Performance:     1926.390        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/19 (36 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/19 (30 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/20
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_input.mdp]:
@@ -190920,9 +190843,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.002        0.002       97.0
+84:        Time:        0.001        0.001       97.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:      932.717        0.026
+84: Performance:     1561.225        0.015
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -190973,9 +190896,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.3
+84:        Time:        0.001        0.001       97.4
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1194.608        0.020
+84: Performance:     1560.829        0.015
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -191028,9 +190951,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.4
+84:        Time:        0.001        0.001       97.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1327.428        0.018
+84: Performance:     1680.926        0.014
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -191084,9 +191007,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.1
+84:        Time:        0.001        0.001       96.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1223.797        0.020
+84: Performance:     1866.847        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as double precision energy file
 84: 
@@ -191140,9 +191063,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.6
+84:        Time:        0.001        0.001       96.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1227.454        0.020
+84: Performance:     1813.540        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as double precision energy file
 84: 
@@ -191196,12 +191119,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.7
+84:        Time:        0.001        0.001       96.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1301.626        0.018
+84: Performance:     1942.792        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/20 (36 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/20 (26 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/21
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_input.mdp]:
@@ -191245,9 +191168,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.4
+84:        Time:        0.001        0.001       97.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1109.417        0.022
+84: Performance:     1510.320        0.016
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -191290,9 +191213,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.4
+84:        Time:        0.001        0.001       96.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1233.352        0.019
+84: Performance:     1771.304        0.014
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -191337,9 +191260,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.8
+84:        Time:        0.001        0.001       96.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1247.842        0.019
+84: Performance:     1973.284        0.012
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -191385,9 +191308,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.6
+84:        Time:        0.001        0.001       96.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1322.300        0.018
+84: Performance:     1775.899        0.014
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as double precision energy file
 84: 
@@ -191433,9 +191356,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.4
+84:        Time:        0.001        0.001       96.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1231.626        0.019
+84: Performance:     1793.999        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as double precision energy file
 84: 
@@ -191481,12 +191404,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.7
+84:        Time:        0.001        0.001       96.7
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1278.927        0.019
+84: Performance:     1766.225        0.014
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/21 (35 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/21 (26 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/22
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
@@ -191530,9 +191453,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.6
+84:        Time:        0.001        0.001       97.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1298.607        0.018
+84: Performance:     1196.697        0.020
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -191575,9 +191498,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.8
+84:        Time:        0.001        0.001       97.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1143.816        0.021
+84: Performance:     1512.544        0.016
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -191630,9 +191553,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.7
+84:        Time:        0.001        0.001       96.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1184.730        0.020
+84: Performance:     1676.352        0.014
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -191686,9 +191609,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.8
+84:        Time:        0.001        0.001       97.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1173.670        0.020
+84: Performance:     1615.258        0.015
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as double precision energy file
 84: 
@@ -191742,9 +191665,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.1
+84:        Time:        0.001        0.001       97.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1612.721        0.015
+84: Performance:     1644.140        0.015
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as double precision energy file
 84: 
@@ -191798,12 +191721,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.8
+84:        Time:        0.001        0.001       97.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1196.464        0.020
+84: Performance:     1621.636        0.015
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/22 (36 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/22 (27 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/23
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
@@ -191857,9 +191780,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.002        0.002       97.1
+84:        Time:        0.001        0.001       97.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:      842.302        0.028
+84: Performance:     1106.031        0.022
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -191912,9 +191835,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.002        0.002       97.4
+84:        Time:        0.001        0.001       97.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:      915.121        0.026
+84: Performance:     1194.145        0.020
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -191979,7 +191902,7 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       97.0
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1102.863        0.022
+84: Performance:     1321.732        0.018
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -192043,9 +191966,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.002        0.002       97.1
+84:        Time:        0.001        0.001       97.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:      933.706        0.026
+84: Performance:     1133.712        0.021
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as double precision energy file
 84: 
@@ -192109,9 +192032,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.002        0.002       97.3
+84:        Time:        0.001        0.001       96.9
 84:                  (ns/day)    (hour/ns)
-84: Performance:      891.548        0.027
+84: Performance:     1239.057        0.019
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as double precision energy file
 84: 
@@ -192175,12 +192098,12 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.002       97.1
+84:        Time:        0.001        0.001       97.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:      958.847        0.025
+84: Performance:     1116.656        0.021
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/23 (39 ms)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/23 (29 ms)
 84: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/24
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_input.mdp]:
@@ -192224,9 +192147,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.5
+84:        Time:        0.001        0.001       97.6
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1000.259        0.024
+84: Performance:     1283.724        0.019
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -192269,9 +192192,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.4
+84:        Time:        0.001        0.001       97.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1084.421        0.022
+84: Performance:     1504.051        0.016
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -192316,9 +192239,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.5
+84:        Time:        0.001        0.001       97.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1620.356        0.015
+84: Performance:     1614.411        0.015
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as double precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -192364,9 +192287,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.4
+84:        Time:        0.001        0.001       97.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1142.755        0.021
+84: Performance:     1479.489        0.016
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as double precision energy file
 84: 
@@ -192412,9 +192335,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       97.6
+84:        Time:        0.001        0.001       97.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1124.812        0.021
+84: Performance:     1479.134        0.016
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as double precision energy file
 84: 
@@ -192462,16 +192385,16 @@
 84:                Core t (s)   Wall t (s)        (%)
 84:        Time:        0.001        0.001       97.2
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1107.423        0.022
+84: Performance:     1547.888        0.016
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as double precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as double precision energy file
-84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/24 (36 ms)
-84: [----------] 25 tests from PropagatorsWithCoupling/PeriodicActionsTest (860 ms total)
+84: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/24 (28 ms)
+84: [----------] 25 tests from PropagatorsWithCoupling/PeriodicActionsTest (658 ms total)
 84: 
 84: [----------] Global test environment tear-down
-84: [==========] 25 tests from 1 test suite ran. (868 ms total)
+84: [==========] 25 tests from 1 test suite ran. (664 ms total)
 84: [  PASSED  ] 25 tests.
-84/92 Test #84: MdrunCoordinationCouplingTests1Rank .......   Passed    0.89 sec
+84/92 Test #84: MdrunCoordinationCouplingTests1Rank .......   Passed    0.68 sec
 test 85
       Start 85: MdrunCoordinationCouplingTests2Ranks
 
@@ -192534,17 +192457,17 @@
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
 85:  Average load imbalance: 2.0%.
-85:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
+85:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
 85:  Part of the total run time spent waiting due to load imbalance: 1.0%.
 85: 
 85: 
-85: NOTE: 37 % of the run time was spent communicating energies,
+85: NOTE: 34 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      195.7
+85:        Time:        0.004        0.002      197.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:      763.111        0.031
+85: Performance:      718.604        0.033
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -192596,18 +192519,22 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.7%.
-85:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+85:  Average load imbalance: 0.2%.
+85:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.1%.
 85: 
 85: 
-85: NOTE: 36 % of the run time was spent communicating energies,
+85: NOTE: 12 % of the run time was spent in domain decomposition,
+85:       4 % of the run time was spent in pair search,
+85:       you might want to increase nstlist (this has no effect on accuracy)
+85: 
+85: NOTE: 26 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      195.3
+85:        Time:        0.002        0.001      192.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:      860.418        0.028
+85: Performance:     1431.864        0.017
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -192669,18 +192596,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.6%.
+85:  Average load imbalance: 2.6%.
 85:  The balanceable part of the MD step is 36%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+85:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 85: 
 85: 
-85: NOTE: 37 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      195.0
+85:        Time:        0.002        0.001      191.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:      906.703        0.026
+85: Performance:     1752.908        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -192743,18 +192670,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.0%.
-85:  The balanceable part of the MD step is 38%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+85:  Average load imbalance: 0.8%.
+85:  The balanceable part of the MD step is 37%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.3%.
 85: 
 85: 
-85: NOTE: 30 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.001        0.001      190.3
+85:        Time:        0.001        0.001      189.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1952.954        0.012
+85: Performance:     1992.108        0.012
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 85: 
@@ -192816,19 +192743,24 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.9%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 8.0%.
 85:  The balanceable part of the MD step is 37%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 1.1%.
+85:  Part of the total run time spent waiting due to load imbalance: 2.9%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
-85: NOTE: 30 % of the run time was spent communicating energies,
+85: NOTE: 12 % of the run time was spent in domain decomposition,
+85:       5 % of the run time was spent in pair search,
+85:       you might want to increase nstlist (this has no effect on accuracy)
+85: 
+85: NOTE: 24 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.001        0.001      190.1
+85:        Time:        0.002        0.001      191.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1990.820        0.012
+85: Performance:     1500.023        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 85: 
@@ -192891,25 +192823,21 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.1%.
-85:  The balanceable part of the MD step is 2%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.0%.
-85: 
+85:  Average load imbalance: 2.0%.
+85:  The balanceable part of the MD step is 36%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 85: 
-85: NOTE: 31 % of the run time was spent in domain decomposition,
-85:       0 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 56 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.036        0.019      193.8
+85:        Time:        0.001        0.001      190.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:       78.029        0.308
+85: Performance:     1945.553        0.012
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (375 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (36 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -192970,22 +192898,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 0.8%.
-85:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.4%.
-85: 
+85:  Average load imbalance: 0.3%.
+85:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.1%.
 85: 
-85: NOTE: 14 % of the run time was spent in domain decomposition,
-85:       2 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 29 % of the run time was spent communicating energies,
+85: NOTE: 26 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      194.0
+85:        Time:        0.002        0.001      192.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:      941.267        0.025
+85: Performance:     1299.018        0.018
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -193044,19 +192968,24 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.7%.
-85:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 4.8%.
+85:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 2.3%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
-85: NOTE: 46 % of the run time was spent communicating energies,
+85: NOTE: 10 % of the run time was spent in domain decomposition,
+85:       5 % of the run time was spent in pair search,
+85:       you might want to increase nstlist (this has no effect on accuracy)
+85: 
+85: NOTE: 25 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.015        0.007      198.7
+85:        Time:        0.002        0.001      192.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:      200.084        0.120
+85: Performance:     1349.528        0.018
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -193118,22 +193047,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.8%.
-85:  The balanceable part of the MD step is 40%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.7%.
-85: 
+85:  Average load imbalance: 3.2%.
+85:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 1.4%.
 85: 
-85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       3 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 34 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.6
+85:        Time:        0.002        0.001      190.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1180.077        0.020
+85: Performance:     1729.289        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -193196,22 +193121,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.3%.
-85:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.5%.
-85: 
+85:  Average load imbalance: 1.5%.
+85:  The balanceable part of the MD step is 40%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 85: 
-85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       4 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 31 % of the run time was spent communicating energies,
+85: NOTE: 30 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.6
+85:        Time:        0.002        0.001      187.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1556.688        0.015
+85: Performance:     1771.558        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 85: 
@@ -193273,20 +193194,24 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.6%.
-85:  The balanceable part of the MD step is 2%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.0%.
+85:  DLB was turned on during the run due to measured imbalance.
+85:  Average load imbalance: 8.7%.
+85:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 3.8%.
+85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
-85: NOTE: 89 % of the run time was spent in domain decomposition,
-85:       0 % of the run time was spent in pair search,
+85: NOTE: 10 % of the run time was spent in domain decomposition,
+85:       5 % of the run time was spent in pair search,
 85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
+85: NOTE: 26 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.023        0.011      199.1
+85:        Time:        0.002        0.001      192.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:      129.643        0.185
+85: Performance:     1490.046        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 85: 
@@ -193349,21 +193274,21 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.1%.
+85:  Average load imbalance: 1.2%.
 85:  The balanceable part of the MD step is 39%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.4%.
+85:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 85: 
 85: 
-85: NOTE: 36 % of the run time was spent communicating energies,
+85: NOTE: 31 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.9
+85:        Time:        0.002        0.001      190.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1183.933        0.020
+85: Performance:     1601.402        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (508 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (36 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -193416,18 +193341,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 0.9%.
-85:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.4%.
+85:  Average load imbalance: 0.4%.
+85:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.2%.
 85: 
 85: 
-85: NOTE: 83 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.021        0.011      198.5
+85:        Time:        0.002        0.001      193.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:      137.279        0.175
+85: Performance:     1179.738        0.020
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -193479,18 +193404,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.5%.
-85:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+85:  Average load imbalance: 1.8%.
+85:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 85: 
 85: 
-85: NOTE: 26 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.3
+85:        Time:        0.002        0.001      191.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1706.063        0.014
+85: Performance:     1466.110        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -193544,18 +193469,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.4%.
+85:  Average load imbalance: 0.6%.
 85:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+85:  Part of the total run time spent waiting due to load imbalance: 0.3%.
 85: 
 85: 
 85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.001        0.001      189.3
+85:        Time:        0.001        0.001      190.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1966.984        0.012
+85: Performance:     1954.813        0.012
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -193610,18 +193535,22 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.1%.
-85:  The balanceable part of the MD step is 37%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.4%.
+85:  Average load imbalance: 2.5%.
+85:  The balanceable part of the MD step is 39%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 1.0%.
 85: 
 85: 
-85: NOTE: 84 % of the run time was spent communicating energies,
+85: NOTE: 15 % of the run time was spent in domain decomposition,
+85:       6 % of the run time was spent in pair search,
+85:       you might want to increase nstlist (this has no effect on accuracy)
+85: 
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.021        0.011      198.5
+85:        Time:        0.002        0.001      191.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:      139.747        0.172
+85: Performance:     1546.722        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 85: 
@@ -193676,18 +193605,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.5%.
-85:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+85:  Average load imbalance: 2.4%.
+85:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 1.0%.
 85: 
 85: 
-85: NOTE: 47 % of the run time was spent communicating energies,
+85: NOTE: 30 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.013        0.006      198.2
+85:        Time:        0.002        0.001      190.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:      229.368        0.105
+85: Performance:     1728.804        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 85: 
@@ -193742,25 +193671,21 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.9%.
+85:  Average load imbalance: 2.1%.
 85:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
 85:  Part of the total run time spent waiting due to load imbalance: 0.8%.
 85: 
 85: 
-85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       4 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 33 % of the run time was spent communicating energies,
+85: NOTE: 31 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.9
+85:        Time:        0.002        0.001      189.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1573.185        0.015
+85: Performance:     1802.925        0.013
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (291 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (32 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -193813,18 +193738,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.3%.
-85:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+85:  Average load imbalance: 1.7%.
+85:  The balanceable part of the MD step is 35%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 85: 
 85: 
-85: NOTE: 31 % of the run time was spent communicating energies,
+85: NOTE: 19 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      193.4
+85:        Time:        0.003        0.001      194.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1005.893        0.024
+85: Performance:     1007.951        0.024
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -193876,19 +193801,22 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.2%.
-85:  The balanceable part of the MD step is 5%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.1%.
+85:  Average load imbalance: 0.6%.
+85:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.3%.
 85: 
 85: 
-85: NOTE: 88 % of the run time was spent in domain decomposition,
-85:       0 % of the run time was spent in pair search,
+85: NOTE: 11 % of the run time was spent in domain decomposition,
+85:       4 % of the run time was spent in pair search,
 85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
+85: NOTE: 25 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.017        0.009      198.9
+85:        Time:        0.002        0.001      191.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:      171.516        0.140
+85: Performance:     1619.717        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -193942,22 +193870,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.0%.
-85:  The balanceable part of the MD step is 39%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.4%.
-85: 
+85:  Average load imbalance: 2.8%.
+85:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 1.3%.
 85: 
-85: NOTE: 12 % of the run time was spent in domain decomposition,
-85:       3 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 32 % of the run time was spent communicating energies,
+85: NOTE: 26 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.5
+85:        Time:        0.002        0.001      190.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1266.179        0.019
+85: Performance:     1835.695        0.013
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -194012,22 +193936,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.5%.
-85:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.6%.
-85: 
+85:  Average load imbalance: 0.2%.
+85:  The balanceable part of the MD step is 39%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.1%.
 85: 
-85: NOTE: 10 % of the run time was spent in domain decomposition,
-85:       3 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 35 % of the run time was spent communicating energies,
+85: NOTE: 30 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      193.0
+85:        Time:        0.002        0.001      191.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1240.055        0.019
+85: Performance:     1686.448        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 85: 
@@ -194082,18 +194002,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.6%.
+85:  Average load imbalance: 0.3%.
 85:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+85:  Part of the total run time spent waiting due to load imbalance: 0.1%.
 85: 
 85: 
-85: NOTE: 86 % of the run time was spent communicating energies,
+85: NOTE: 30 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.026        0.019      136.4
+85:        Time:        0.002        0.001      190.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:       78.335        0.306
+85: Performance:     1841.182        0.013
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 85: 
@@ -194148,22 +194068,21 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.8%.
-85:  The balanceable part of the MD step is 3%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.1%.
+85:  Average load imbalance: 0.9%.
+85:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 85: 
 85: 
-85: NOTE: 89 % of the run time was spent in domain decomposition,
-85:       0 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
+85: NOTE: 30 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.017        0.008      198.9
+85:        Time:        0.002        0.001      190.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:      174.129        0.138
+85: Performance:     1721.558        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (143 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (32 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -194209,13 +194128,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 29 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
 85:        Time:        0.002        0.001      192.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1284.661        0.019
+85: Performance:     1394.430        0.017
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -194260,13 +194179,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 84 % of the run time was spent communicating energies,
+85: NOTE: 25 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.022        0.011      198.5
+85:        Time:        0.002        0.001      191.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:      135.300        0.177
+85: Performance:     1756.907        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -194321,13 +194240,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 30 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.001        0.001      189.2
+85:        Time:        0.001        0.001      189.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:     2126.543        0.011
+85: Performance:     1883.686        0.013
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -194387,9 +194306,9 @@
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.6
+85:        Time:        0.002        0.001      189.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1660.761        0.014
+85: Performance:     1771.813        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 85: 
@@ -194445,17 +194364,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 68 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 12 % of the run time was spent communicating energies,
+85: NOTE: 36 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.005        0.003      196.5
+85:        Time:        0.002        0.001      190.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:      537.926        0.045
+85: Performance:     1523.956        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 85: 
@@ -194511,16 +194426,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 33 % of the run time was spent communicating energies,
+85: NOTE: 30 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.001        0.001      189.1
+85:        Time:        0.002        0.001      189.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1976.133        0.012
+85: Performance:     1732.450        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (116 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (40 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
@@ -194574,13 +194489,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 28 % of the run time was spent communicating energies,
+85: NOTE: 26 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.3
+85:        Time:        0.002        0.001      191.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1277.336        0.019
+85: Performance:     1334.328        0.018
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -194633,14 +194548,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 89 % of the run time was spent in domain decomposition,
-85:       0 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
+85: NOTE: 27 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.017        0.008      198.9
+85:        Time:        0.002        0.001      186.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:      173.291        0.138
+85: Performance:     1585.943        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -194695,13 +194609,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 31 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.5
+85:        Time:        0.001        0.001      189.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1639.546        0.015
+85: Performance:     2122.879        0.011
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -194757,13 +194671,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 33 % of the run time was spent communicating energies,
+85: NOTE: 42 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.1
+85:        Time:        0.003        0.001      194.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1593.944        0.015
+85: Performance:     1025.057        0.023
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 85: 
@@ -194819,13 +194733,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 33 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.001        0.001      188.6
+85:        Time:        0.002        0.001      191.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:     2054.559        0.012
+85: Performance:     1581.261        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 85: 
@@ -194881,20 +194795,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 10 % of the run time was spent in domain decomposition,
-85:       2 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 35 % of the run time was spent communicating energies,
+85: NOTE: 47 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.1
+85:        Time:        0.002        0.001      191.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1208.078        0.020
+85: Performance:     1590.857        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (214 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (37 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
@@ -194940,13 +194850,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 24 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      168.4
+85:        Time:        0.003        0.001      193.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1134.339        0.021
+85: Performance:     1042.049        0.023
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -194991,13 +194901,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 33 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.9
+85:        Time:        0.002        0.001      190.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1165.896        0.021
+85: Performance:     1829.426        0.013
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -195044,13 +194954,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 88 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.013        0.006      197.7
+85:        Time:        0.001        0.001      181.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:      228.348        0.105
+85: Performance:     2169.223        0.011
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -195098,13 +195008,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 32 % of the run time was spent communicating energies,
+85: NOTE: 30 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.001        0.001      188.7
+85:        Time:        0.002        0.001      190.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1915.905        0.013
+85: Performance:     1820.506        0.013
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 85: 
@@ -195152,13 +195062,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 39 % of the run time was spent communicating energies,
+85: NOTE: 31 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      193.9
+85:        Time:        0.002        0.001      190.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:      859.098        0.028
+85: Performance:     1778.719        0.013
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 85: 
@@ -195206,16 +195116,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 36 % of the run time was spent communicating energies,
+85: NOTE: 33 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.6
+85:        Time:        0.001        0.001      189.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1280.922        0.019
+85: Performance:     2011.622        0.012
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (107 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (36 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -195261,13 +195171,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 48 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        1.136        0.584      194.5
+85:        Time:        0.002        0.001      192.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:        2.515        9.542
+85: Performance:     1591.473        0.015
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -195312,13 +195222,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 47 % of the run time was spent communicating energies,
+85: NOTE: 45 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.015        0.007      198.6
+85:        Time:        0.002        0.001      193.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:      196.749        0.122
+85: Performance:     1192.873        0.020
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -195365,17 +195275,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 14 % of the run time was spent in domain decomposition,
-85:       2 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
 85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.6
+85:        Time:        0.001        0.001      190.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1636.063        0.015
+85: Performance:     2086.215        0.012
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -195423,13 +195329,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 55 % of the run time was spent communicating energies,
+85: NOTE: 31 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.992        0.512      193.8
+85:        Time:        0.002        0.001      190.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:        2.869        8.365
+85: Performance:     1693.634        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 85: 
@@ -195477,13 +195383,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 66 % of the run time was spent communicating energies,
+85: NOTE: 30 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.016        0.008      198.2
+85:        Time:        0.002        0.001      190.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:      184.110        0.130
+85: Performance:     1799.239        0.013
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 85: 
@@ -195531,16 +195437,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 40 % of the run time was spent communicating energies,
+85: NOTE: 32 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      194.3
+85:        Time:        0.001        0.001      190.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:      877.577        0.027
+85: Performance:     1913.228        0.013
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (2708 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (33 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
@@ -195591,13 +195497,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 36 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      194.7
+85:        Time:        0.002        0.001      192.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:      848.859        0.028
+85: Performance:     1591.062        0.015
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -195647,13 +195553,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 34 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.9
+85:        Time:        0.002        0.001      192.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1263.582        0.019
+85: Performance:     1566.983        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -195713,17 +195619,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 56 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 18 % of the run time was spent communicating energies,
+85: NOTE: 26 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.007        0.004      197.4
+85:        Time:        0.002        0.001      191.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:      399.520        0.060
+85: Performance:     1831.602        0.013
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -195784,17 +195686,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 11 % of the run time was spent in domain decomposition,
-85:       2 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 35 % of the run time was spent communicating energies,
+85: NOTE: 33 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.1
+85:        Time:        0.001        0.001      189.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1301.901        0.018
+85: Performance:     1910.262        0.013
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 85: 
@@ -195855,13 +195753,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 45 % of the run time was spent communicating energies,
+85: NOTE: 32 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.824        0.418      197.1
+85:        Time:        0.001        0.001      189.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:        3.514        6.829
+85: Performance:     1916.203        0.013
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 85: 
@@ -195922,16 +195820,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 39 % of the run time was spent communicating energies,
+85: NOTE: 33 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      193.6
+85:        Time:        0.001        0.001      189.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1034.090        0.023
+85: Performance:     2067.660        0.012
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (1659 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (32 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
@@ -195990,13 +195888,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 32 % of the run time was spent communicating energies,
+85: NOTE: 23 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      192.8
+85:        Time:        0.002        0.001      193.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1081.375        0.022
+85: Performance:     1195.535        0.020
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -196054,13 +195952,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 68 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.011        0.005      197.8
+85:        Time:        0.002        0.001      190.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:      276.694        0.087
+85: Performance:     1791.391        0.013
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -196120,13 +196018,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 31 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.001        0.001      189.1
+85:        Time:        0.001        0.001      190.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:     2111.962        0.011
+85: Performance:     1939.428        0.012
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -196187,13 +196085,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 34 % of the run time was spent communicating energies,
+85: NOTE: 33 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.001        0.001      189.0
+85:        Time:        0.001        0.001      189.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1924.584        0.012
+85: Performance:     2023.848        0.012
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 85: 
@@ -196258,9 +196156,9 @@
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.001        0.001      189.5
+85:        Time:        0.001        0.001      189.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1913.228        0.013
+85: Performance:     1991.142        0.012
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 85: 
@@ -196321,16 +196219,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 34 % of the run time was spent communicating energies,
+85: NOTE: 33 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.5
+85:        Time:        0.001        0.001      189.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1598.493        0.015
+85: Performance:     1902.299        0.013
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (106 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (33 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
@@ -196381,13 +196279,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 28 % of the run time was spent communicating energies,
+85: NOTE: 33 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.0
+85:        Time:        0.004        0.002      194.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1277.999        0.019
+85: Performance:      770.508        0.031
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -196437,13 +196335,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 29 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.0
+85:        Time:        0.002        0.001      190.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1428.875        0.017
+85: Performance:     1811.407        0.013
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -196495,17 +196393,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 76 % of the run time was spent in domain decomposition,
-85:       0 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 11 % of the run time was spent communicating energies,
+85: NOTE: 30 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.035        0.018      199.4
+85:        Time:        0.002        0.001      191.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:       83.139        0.289
+85: Performance:     1494.021        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -196558,13 +196452,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 35 % of the run time was spent communicating energies,
+85: NOTE: 31 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
 85:        Time:        0.002        0.001      189.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1591.885        0.015
+85: Performance:     1835.149        0.013
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 85: 
@@ -196617,13 +196511,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 34 % of the run time was spent communicating energies,
+85: NOTE: 33 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.4
+85:        Time:        0.001        0.001      188.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1557.082        0.015
+85: Performance:     1930.011        0.012
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 85: 
@@ -196676,16 +196570,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 36 % of the run time was spent communicating energies,
+85: NOTE: 35 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.6
+85:        Time:        0.002        0.001      190.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1545.752        0.016
+85: Performance:     1603.486        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (124 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (35 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
@@ -196736,13 +196630,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 28 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.0
+85:        Time:        0.004        0.002      191.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1278.662        0.019
+85: Performance:      793.738        0.030
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -196792,13 +196686,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 86 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.025        0.016      161.3
+85:        Time:        0.004        0.002      192.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:       92.924        0.258
+85: Performance:      801.952        0.030
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -196854,9 +196748,9 @@
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.001        0.001      189.3
+85:        Time:        0.002        0.001      188.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:     2032.528        0.012
+85: Performance:     1293.291        0.019
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -196913,9 +196807,9 @@
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.1
+85:        Time:        0.002        0.001      188.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1613.354        0.015
+85: Performance:     1185.984        0.020
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 85: 
@@ -196968,13 +196862,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 34 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.1
+85:        Time:        0.003        0.001      191.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1623.345        0.015
+85: Performance:     1074.116        0.022
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 85: 
@@ -197027,16 +196921,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 32 % of the run time was spent communicating energies,
+85: NOTE: 34 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.8
+85:        Time:        0.002        0.001      189.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1621.636        0.015
+85: Performance:     1456.061        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (107 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (57 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
@@ -197082,13 +196976,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 29 % of the run time was spent communicating energies,
+85: NOTE: 23 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.6
+85:        Time:        0.003        0.001      194.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1593.738        0.015
+85: Performance:      984.750        0.024
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -197133,13 +197027,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 31 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.4
+85:        Time:        0.002        0.001      192.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1515.335        0.016
+85: Performance:     1533.249        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -197194,13 +197088,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 87 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.025        0.019      136.3
+85:        Time:        0.001        0.001      190.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:       78.484        0.306
+85: Performance:     2024.846        0.012
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -197256,13 +197150,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 31 % of the run time was spent communicating energies,
+85: NOTE: 23 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.4
+85:        Time:        0.003        0.002      195.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1702.998        0.014
+85: Performance:      904.639        0.027
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 85: 
@@ -197322,9 +197216,9 @@
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.8
+85:        Time:        0.001        0.001      190.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1730.990        0.014
+85: Performance:     1962.285        0.012
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 85: 
@@ -197380,16 +197274,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 65 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.023        0.011      199.2
+85:        Time:        0.002        0.001      191.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:      129.515        0.185
+85: Performance:     1815.410        0.013
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (134 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (39 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
@@ -197443,13 +197337,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 47 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.014        0.007      198.7
+85:        Time:        0.002        0.001      192.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:      206.292        0.116
+85: Performance:     1475.238        0.016
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -197506,9 +197400,9 @@
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.4
+85:        Time:        0.002        0.001      192.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1487.527        0.016
+85: Performance:     1493.477        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -197563,13 +197457,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 32 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.0
+85:        Time:        0.002        0.001      191.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1620.569        0.015
+85: Performance:     1738.807        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -197625,13 +197519,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 35 % of the run time was spent communicating energies,
+85: NOTE: 36 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.8
+85:        Time:        0.002        0.001      191.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1595.182        0.015
+85: Performance:     1658.079        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file
 85: 
@@ -197687,13 +197581,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 83 % of the run time was spent communicating energies,
+85: NOTE: 34 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.023        0.011      198.6
+85:        Time:        0.002        0.001      190.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:      127.953        0.188
+85: Performance:     1860.644        0.013
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file
 85: 
@@ -197749,16 +197643,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 35 % of the run time was spent communicating energies,
+85: NOTE: 33 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.3
+85:        Time:        0.001        0.001      190.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1638.238        0.015
+85: Performance:     1917.396        0.013
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (115 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (33 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]:
@@ -197804,13 +197698,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 26 % of the run time was spent communicating energies,
+85: NOTE: 27 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.7
+85:        Time:        0.002        0.001      192.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1485.017        0.016
+85: Performance:     1438.047        0.017
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -197855,13 +197749,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 30 % of the run time was spent communicating energies,
+85: NOTE: 22 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.4
+85:        Time:        0.002        0.001      165.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1545.558        0.016
+85: Performance:     1114.535        0.022
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -197908,13 +197802,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 31 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.6
+85:        Time:        0.001        0.001      190.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1662.778        0.014
+85: Performance:     2164.270        0.011
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -197962,13 +197856,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 36 % of the run time was spent communicating energies,
+85: NOTE: 37 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.9
+85:        Time:        0.003        0.002      194.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1629.571        0.015
+85: Performance:      882.417        0.027
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file
 85: 
@@ -198016,13 +197910,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 34 % of the run time was spent communicating energies,
+85: NOTE: 29 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.8
+85:        Time:        0.002        0.001      192.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1610.613        0.015
+85: Performance:     1549.445        0.015
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file
 85: 
@@ -198070,20 +197964,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 68 % of the run time was spent in domain decomposition,
-85:       1 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 12 % of the run time was spent communicating energies,
+85: NOTE: 37 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.005        0.003      197.0
+85:        Time:        0.002        0.001      191.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:      547.706        0.044
+85: Performance:     1707.482        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (113 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (38 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
@@ -198129,13 +198019,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 28 % of the run time was spent communicating energies,
+85: NOTE: 38 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      193.1
+85:        Time:        0.002        0.001      193.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1298.471        0.018
+85: Performance:     1246.075        0.019
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -198180,13 +198070,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 33 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      193.5
+85:        Time:        0.002        0.001      191.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1201.130        0.020
+85: Performance:     1823.740        0.013
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -198233,13 +198123,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 34 % of the run time was spent communicating energies,
+85: NOTE: 33 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
 85:        Time:        0.002        0.001      191.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1306.872        0.018
+85: Performance:     1523.768        0.016
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -198287,13 +198177,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 77 % of the run time was spent communicating energies,
+85: NOTE: 33 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.006        0.003      197.2
+85:        Time:        0.002        0.001      190.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:      450.550        0.053
+85: Performance:     1761.428        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file
 85: 
@@ -198341,13 +198231,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 37 % of the run time was spent communicating energies,
+85: NOTE: 33 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      192.9
+85:        Time:        0.002        0.001      190.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1293.563        0.019
+85: Performance:     1752.160        0.014
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file
 85: 
@@ -198395,16 +198285,16 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 37 % of the run time was spent communicating energies,
+85: NOTE: 34 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      193.0
+85:        Time:        0.001        0.001      190.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1305.625        0.018
+85: Performance:     1921.583        0.012
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (121 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (37 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
@@ -198457,18 +198347,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.7%.
+85:  Average load imbalance: 1.3%.
 85:  The balanceable part of the MD step is 59%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 1.0%.
+85:  Part of the total run time spent waiting due to load imbalance: 0.8%.
 85: 
 85: 
 85: NOTE: 6 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      192.5
+85:        Time:        0.003        0.001      191.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1068.620        0.022
+85: Performance:     1025.398        0.023
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -198519,25 +198409,19 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was turned on during the run due to measured imbalance.
-85:  Average load imbalance: 13.4%.
-85:  The balanceable part of the MD step is 60%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 8.0%.
-85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+85:  DLB was off during the run due to low measured imbalance.
+85:  Average load imbalance: 1.1%.
+85:  The balanceable part of the MD step is 59%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 85: 
-85: NOTE: 8.0 % of the available CPU time was lost due to load imbalance
-85:       in the domain decomposition.
-85:       You can consider manually changing the decomposition (option -dd);
-85:       e.g. by using fewer domains along the box dimension in which there is
-85:       considerable inhomogeneity in the simulated system.
 85: 
-85: NOTE: 27 % of the run time was spent communicating energies,
+85: NOTE: 6 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.719        0.360      199.9
+85:        Time:        0.002        0.001      190.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:        4.085        5.875
+85: Performance:     1159.423        0.021
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -198599,15 +198483,15 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.5%.
-85:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
+85:  Average load imbalance: 2.7%.
+85:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
 85:  Part of the total run time spent waiting due to load imbalance: 1.3%.
 85: 
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      187.0
+85:        Time:        0.002        0.001      189.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:      973.930        0.025
+85: Performance:     1403.324        0.017
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -198670,15 +198554,15 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 3.0%.
-85:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 1.4%.
+85:  Average load imbalance: 4.1%.
+85:  The balanceable part of the MD step is 37%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 1.5%.
 85: 
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.5
+85:        Time:        0.002        0.001      190.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1375.133        0.017
+85: Performance:     1221.250        0.020
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file
 85: 
@@ -198741,15 +198625,15 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.5%.
-85:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 1.1%.
+85:  Average load imbalance: 3.0%.
+85:  The balanceable part of the MD step is 40%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 1.2%.
 85: 
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      187.0
+85:        Time:        0.003        0.002      192.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:      899.291        0.027
+85: Performance:      820.428        0.029
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file
 85: 
@@ -198812,18 +198696,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.4%.
-85:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 1.2%.
+85:  Average load imbalance: 3.2%.
+85:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 1.5%.
 85: 
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.015        0.007      198.1
+85:        Time:        0.002        0.001      189.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:      197.740        0.121
+85: Performance:     1362.059        0.018
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 (785 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 (34 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
@@ -198884,15 +198768,15 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.9%.
-85:  The balanceable part of the MD step is 58%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 1.1%.
+85:  Average load imbalance: 0.9%.
+85:  The balanceable part of the MD step is 60%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 85: 
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.140        0.070      199.6
+85:        Time:        0.003        0.002      190.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:       20.881        1.149
+85: Performance:      938.900        0.026
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -198952,18 +198836,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.8%.
-85:  The balanceable part of the MD step is 60%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 1.1%.
+85:  Average load imbalance: 0.7%.
+85:  The balanceable part of the MD step is 56%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 85: 
 85: 
-85: NOTE: 5 % of the run time was spent communicating energies,
+85: NOTE: 8 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      188.3
+85:        Time:        0.003        0.001      191.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:      864.099        0.028
+85: Performance:     1111.218        0.022
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -199025,15 +198909,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.4%.
-85:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+85:  Average load imbalance: 2.4%.
+85:  The balanceable part of the MD step is 54%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 1.3%.
+85: 
 85: 
+85: NOTE: 6 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      185.5
+85:        Time:        0.002        0.001      190.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:      937.543        0.026
+85: Performance:     1358.305        0.018
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -199095,25 +198982,19 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was turned on during the run due to measured imbalance.
-85:  Average load imbalance: 9.7%.
-85:  The balanceable part of the MD step is 61%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 6.0%.
-85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+85:  DLB was off during the run due to low measured imbalance.
+85:  Average load imbalance: 0.8%.
+85:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 85: 
-85: NOTE: 6.0 % of the available CPU time was lost due to load imbalance
-85:       in the domain decomposition.
-85:       You can consider manually changing the decomposition (option -dd);
-85:       e.g. by using fewer domains along the box dimension in which there is
-85:       considerable inhomogeneity in the simulated system.
 85: 
-85: NOTE: 47 % of the run time was spent communicating energies,
+85: NOTE: 5 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        2.204        1.102      200.0
+85:        Time:        0.002        0.001      190.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:        1.333       18.008
+85: Performance:     1191.489        0.020
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file
 85: 
@@ -199176,22 +199057,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 14.3%.
-85:  The balanceable part of the MD step is 13%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 1.9%.
-85: 
+85:  Average load imbalance: 1.1%.
+85:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 85: 
-85: NOTE: 14 % of the run time was spent in domain decomposition,
-85:       0 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 17 % of the run time was spent communicating energies,
+85: NOTE: 6 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.737        0.369      200.0
+85:        Time:        0.002        0.001      189.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:        3.985        6.023
+85: Performance:     1237.315        0.019
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file
 85: 
@@ -199254,18 +199131,25 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.9%.
-85:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.9%.
+85:  Average load imbalance: 0.8%.
+85:  The balanceable part of the MD step is 57%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.5%.
+85: 
+85: 
+85: NOTE: 11 % of the run time was spent in domain decomposition,
+85:       3 % of the run time was spent in pair search,
+85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
+85: NOTE: 7 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      187.7
+85:        Time:        0.003        0.001      190.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:      667.092        0.036
+85: Performance:     1096.972        0.022
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (2556 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (32 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/18
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
@@ -199318,15 +199202,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.4%.
-85:  The balanceable part of the MD step is 60%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.9%.
+85:  Average load imbalance: 0.7%.
+85:  The balanceable part of the MD step is 58%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 85: 
 85: 
+85: NOTE: 6 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      192.1
+85:        Time:        0.003        0.001      191.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:      900.408        0.027
+85: Performance:     1038.798        0.023
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -199378,15 +199265,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.8%.
-85:  The balanceable part of the MD step is 58%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 1.0%.
+85:  Average load imbalance: 0.7%.
+85:  The balanceable part of the MD step is 59%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 85: 
 85: 
+85: NOTE: 6 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.015        0.007      197.9
+85:        Time:        0.002        0.001      190.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:      199.340        0.120
+85: Performance:     1202.771        0.020
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -199440,15 +199330,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 1.6%.
-85:  The balanceable part of the MD step is 38%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+85:  Average load imbalance: 2.1%.
+85:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 1.1%.
+85: 
 85: 
+85: NOTE: 5 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.9
+85:        Time:        0.002        0.001      190.3
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1129.555        0.021
+85: Performance:     1193.220        0.020
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -199503,15 +199396,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.2%.
-85:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 1.1%.
+85:  Average load imbalance: 1.5%.
+85:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+85: 
 85: 
+85: NOTE: 6 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      186.8
+85:        Time:        0.002        0.001      190.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:      666.190        0.036
+85: Performance:     1176.921        0.020
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as double precision energy file
 85: 
@@ -199566,18 +199462,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 2.3%.
-85:  The balanceable part of the MD step is 54%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 1.2%.
+85:  Average load imbalance: 1.2%.
+85:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 85: 
 85: 
 85: NOTE: 6 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.4
+85:        Time:        0.003        0.001      190.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1163.584        0.021
+85: Performance:     1092.207        0.022
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as double precision energy file
 85: 
@@ -199631,28 +199527,22 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was turned on during the run due to measured imbalance.
-85:  Average load imbalance: 10.2%.
-85:  The balanceable part of the MD step is 66%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 6.7%.
-85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+85:  DLB was off during the run due to low measured imbalance.
+85:  Average load imbalance: 1.2%.
+85:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 85: 
-85: NOTE: 6.7 % of the available CPU time was lost due to load imbalance
-85:       in the domain decomposition.
-85:       You can consider manually changing the decomposition (option -dd);
-85:       e.g. by using fewer domains along the box dimension in which there is
-85:       considerable inhomogeneity in the simulated system.
 85: 
-85: NOTE: 49 % of the run time was spent communicating energies,
+85: NOTE: 6 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        1.937        0.968      200.0
+85:        Time:        0.002        0.001      190.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:        1.517       15.824
+85: Performance:     1255.087        0.019
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/18 (1310 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/18 (33 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/19
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
@@ -199698,10 +199588,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 7 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.006        0.003      190.1
+85:        Time:        0.003        0.001      190.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:      501.045        0.048
+85: Performance:     1068.713        0.022
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -199746,13 +199639,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 34 % of the run time was spent communicating energies,
+85: NOTE: 6 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        1.343        0.671      200.0
+85:        Time:        0.002        0.001      189.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:        2.187       10.972
+85: Performance:     1252.408        0.019
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -199807,13 +199700,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 27 % of the run time was spent communicating energies,
+85: NOTE: 6 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.075        0.038      199.4
+85:        Time:        0.002        0.001      187.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:       39.027        0.615
+85: Performance:     1372.681        0.017
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -199869,13 +199762,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 6 % of the run time was spent communicating energies,
+85: NOTE: 5 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      189.1
+85:        Time:        0.002        0.001      188.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1308.398        0.018
+85: Performance:     1334.328        0.018
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as double precision energy file
 85: 
@@ -199931,10 +199824,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 5 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      188.8
+85:        Time:        0.002        0.001      190.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1363.868        0.018
+85: Performance:     1245.949        0.019
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as double precision energy file
 85: 
@@ -199991,12 +199887,12 @@
 85: Writing final coordinates.
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.030        0.015      198.2
+85:        Time:        0.002        0.001      188.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:       97.065        0.247
+85: Performance:     1439.391        0.017
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/19 (1300 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/19 (32 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/20
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_input.mdp]:
@@ -200050,10 +199946,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 6 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      192.8
+85:        Time:        0.003        0.001      189.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:      827.481        0.029
+85: Performance:     1108.918        0.022
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -200107,9 +200006,9 @@
 85: Writing final coordinates.
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.006        0.005      129.4
+85:        Time:        0.003        0.002      186.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:      295.884        0.081
+85: Performance:      948.952        0.025
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -200164,10 +200063,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 6 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      184.0
+85:        Time:        0.002        0.001      184.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:      689.297        0.035
+85: Performance:     1412.170        0.017
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -200223,10 +200125,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 6 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.013        0.007      193.8
+85:        Time:        0.002        0.001      188.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:      212.728        0.113
+85: Performance:     1230.519        0.020
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as double precision energy file
 85: 
@@ -200282,10 +200187,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 6 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      184.9
+85:        Time:        0.002        0.001      188.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:      674.062        0.036
+85: Performance:     1251.517        0.019
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as double precision energy file
 85: 
@@ -200341,13 +200249,16 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 7 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      185.0
+85:        Time:        0.002        0.001      190.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:      682.161        0.035
+85: Performance:     1122.046        0.021
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/20 (143 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/20 (35 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/21
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_input.mdp]:
@@ -200393,10 +200304,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 6 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.006        0.003      191.3
+85:        Time:        0.003        0.001      190.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:      443.815        0.054
+85: Performance:     1070.384        0.022
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -200442,9 +200356,9 @@
 85: Writing final coordinates.
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.009        0.007      121.0
+85:        Time:        0.003        0.002      188.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:      196.818        0.122
+85: Performance:      894.590        0.027
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -200491,10 +200405,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 9 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.011        0.008      127.3
+85:        Time:        0.002        0.001      189.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:      174.484        0.138
+85: Performance:     1216.907        0.020
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -200542,13 +200459,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 55 % of the run time was spent communicating energies,
+85: NOTE: 8 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        2.777        1.406      197.5
+85:        Time:        0.002        0.001      190.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:        1.045       22.969
+85: Performance:     1141.908        0.021
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as double precision energy file
 85: 
@@ -200596,13 +200513,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 6 % of the run time was spent communicating energies,
+85: NOTE: 8 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      186.6
+85:        Time:        0.002        0.001      189.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1236.943        0.019
+85: Performance:     1134.757        0.021
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as double precision energy file
 85: 
@@ -200650,13 +200567,16 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 6 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.005        0.003      189.2
+85:        Time:        0.002        0.001      189.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:      545.065        0.044
+85: Performance:     1198.093        0.020
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/21 (2315 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/21 (35 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/22
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
@@ -200702,10 +200622,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 5 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.085        0.043      199.6
+85:        Time:        0.003        0.001      190.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:       34.512        0.695
+85: Performance:     1013.006        0.024
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -200750,10 +200673,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 6 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.380        0.190      199.9
+85:        Time:        0.003        0.001      190.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:        7.720        3.109
+85: Performance:     1061.897        0.023
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -200808,13 +200734,13 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 52 % of the run time was spent communicating energies,
+85: NOTE: 6 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        1.349        0.674      199.9
+85:        Time:        0.002        0.001      189.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:        2.178       11.021
+85: Performance:     1236.570        0.019
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -200870,10 +200796,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 6 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      189.0
+85:        Time:        0.003        0.001      189.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1061.256        0.023
+85: Performance:     1094.050        0.022
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as double precision energy file
 85: 
@@ -200929,13 +200858,10 @@
 85: 
 85: Writing final coordinates.
 85: 
-85: NOTE: 16 % of the run time was spent communicating energies,
-85:       you might want to increase some nst* mdp options
-85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      191.8
+85:        Time:        0.003        0.001      187.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:      872.544        0.028
+85: Performance:     1054.716        0.023
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as double precision energy file
 85: 
@@ -200991,13 +200917,16 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 5 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      186.0
+85:        Time:        0.002        0.001      185.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:      648.791        0.037
+85: Performance:     1123.683        0.021
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/22 (1964 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/22 (35 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/23
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
@@ -201054,9 +200983,9 @@
 85: Writing final coordinates.
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.005        0.003      185.9
+85:        Time:        0.003        0.002      191.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:      578.786        0.041
+85: Performance:      822.894        0.029
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -201112,9 +201041,9 @@
 85: Writing final coordinates.
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.014        0.007      196.1
+85:        Time:        0.003        0.002      189.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:      213.306        0.113
+85: Performance:      883.746        0.027
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -201179,10 +201108,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 5 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      187.5
+85:        Time:        0.003        0.001      189.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:      761.507        0.032
+85: Performance:     1017.271        0.024
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -201249,9 +201181,9 @@
 85: Writing final coordinates.
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.005        0.002      186.9
+85:        Time:        0.003        0.002      188.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:      596.292        0.040
+85: Performance:      959.370        0.025
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as double precision energy file
 85: 
@@ -201317,10 +201249,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 6 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.008        0.004      191.9
+85:        Time:        0.003        0.002      189.8
 85:                  (ns/day)    (hour/ns)
-85: Performance:      360.363        0.067
+85: Performance:      916.823        0.026
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as double precision energy file
 85: 
@@ -201387,12 +201322,12 @@
 85: Writing final coordinates.
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      189.9
+85:        Time:        0.003        0.002      189.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:      857.126        0.028
+85: Performance:      929.761        0.026
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/23 (644 ms)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/23 (37 ms)
 85: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/24
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_input.mdp]:
@@ -201438,10 +201373,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 6 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      187.4
+85:        Time:        0.003        0.002      190.2
 85:                  (ns/day)    (hour/ns)
-85: Performance:      643.169        0.037
+85: Performance:      927.032        0.026
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -201490,9 +201428,9 @@
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      190.1
+85:        Time:        0.003        0.001      190.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1052.104        0.023
+85: Performance:     1036.526        0.023
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -201539,10 +201477,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 6 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.013        0.007      193.4
+85:        Time:        0.002        0.001      188.4
 85:                  (ns/day)    (hour/ns)
-85: Performance:      218.298        0.110
+85: Performance:     1168.771        0.021
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as double precision energy file
 85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -201590,10 +201531,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 5 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      186.6
+85:        Time:        0.003        0.001      189.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:      779.132        0.031
+85: Performance:     1103.456        0.022
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as double precision energy file
 85: 
@@ -201641,10 +201585,13 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 5 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.016        0.008      197.8
+85:        Time:        0.003        0.001      189.7
 85:                  (ns/day)    (hour/ns)
-85: Performance:      177.316        0.135
+85: Performance:     1109.018        0.022
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as double precision energy file
 85: 
@@ -201692,19 +201639,22 @@
 85: 
 85: Writing final coordinates.
 85: 
+85: NOTE: 5 % of the run time was spent communicating energies,
+85:       you might want to increase some nst* mdp options
+85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.002      186.6
+85:        Time:        0.003        0.001      189.6
 85:                  (ns/day)    (hour/ns)
-85: Performance:      798.159        0.030
+85: Performance:     1074.397        0.022
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as double precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as double precision energy file
-85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/24 (135 ms)
-85: [----------] 25 tests from PropagatorsWithCoupling/PeriodicActionsTest (18106 ms total)
+85: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/24 (35 ms)
+85: [----------] 25 tests from PropagatorsWithCoupling/PeriodicActionsTest (907 ms total)
 85: 
 85: [----------] Global test environment tear-down
-85: [==========] 25 tests from 1 test suite ran. (18116 ms total)
+85: [==========] 25 tests from 1 test suite ran. (914 ms total)
 85: [  PASSED  ] 25 tests.
-85/92 Test #85: MdrunCoordinationCouplingTests2Ranks ......   Passed   18.14 sec
+85/92 Test #85: MdrunCoordinationCouplingTests2Ranks ......   Passed    0.93 sec
 test 86
       Start 86: MdrunCoordinationConstraintsTests1Rank
 
@@ -201770,9 +201720,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.004        0.004       99.1
+86:        Time:        0.001        0.001       96.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:      350.771        0.068
+86: Performance:     1521.510        0.016
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -201828,9 +201778,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.2
+86:        Time:        0.001        0.001       95.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1298.334        0.018
+86: Performance:     1779.490        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -201896,9 +201846,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.007        0.007       99.4
+86:        Time:        0.001        0.001       95.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:      201.551        0.119
+86: Performance:     2160.854        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -201965,9 +201915,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.3
+86:        Time:        0.001        0.001       95.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2353.168        0.010
+86: Performance:     2036.560        0.012
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 86: 
@@ -202034,9 +201984,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.4
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:      987.591        0.024
+86: Performance:     2114.136        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 86: 
@@ -202103,12 +202053,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.003        0.004       98.7
+86:        Time:        0.001        0.001       94.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:      415.106        0.058
+86: Performance:     2178.428        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (4452 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (1334 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -202165,9 +202115,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.011        0.011       99.6
+86:        Time:        0.003        0.003       98.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:      134.329        0.179
+86: Performance:      419.831        0.057
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -202223,9 +202173,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.7
+86:        Time:        0.001        0.001       95.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:      888.078        0.027
+86: Performance:     1893.237        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -202283,9 +202233,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.7
+86:        Time:        0.001        0.001       95.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:      898.701        0.027
+86: Performance:     2214.448        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -202344,9 +202294,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.6
+86:        Time:        0.001        0.001       95.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2148.794        0.011
+86: Performance:     2052.847        0.012
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 86: 
@@ -202405,9 +202355,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.5
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:      814.678        0.029
+86: Performance:     2170.752        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 86: 
@@ -202466,12 +202416,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.3
+86:        Time:        0.001        0.001       95.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:      921.831        0.026
+86: Performance:     2063.159        0.012
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (4225 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (1298 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -202528,9 +202478,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.014        0.015       99.7
+86:        Time:        0.005        0.005       99.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:      101.224        0.237
+86: Performance:      300.796        0.080
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -202586,9 +202536,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.2
+86:        Time:        0.001        0.001       95.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1709.377        0.014
+86: Performance:     1867.979        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -202646,9 +202596,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.8
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1900.245        0.013
+86: Performance:     2175.351        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -202707,9 +202657,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       98.3
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:      629.531        0.038
+86: Performance:     2183.833        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 86: 
@@ -202768,9 +202718,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.010        0.010       99.5
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:      148.527        0.162
+86: Performance:     2126.543        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 86: 
@@ -202829,12 +202779,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.5
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:      894.785        0.027
+86: Performance:     2114.862        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (4781 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (1274 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -202887,9 +202837,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.020        0.020       99.8
+86:        Time:        0.004        0.004       99.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:       74.975        0.320
+86: Performance:      404.929        0.059
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -202941,9 +202891,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.6
+86:        Time:        0.001        0.001       96.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1972.652        0.012
+86: Performance:     1945.246        0.012
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -203005,9 +202955,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.6
+86:        Time:        0.001        0.001       95.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2175.351        0.011
+86: Performance:     2299.587        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -203070,9 +203020,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.003        0.003       98.5
+86:        Time:        0.001        0.001       95.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:      535.378        0.045
+86: Performance:     2190.044        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 86: 
@@ -203135,9 +203085,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.002       97.8
+86:        Time:        0.001        0.001       94.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:      964.854        0.025
+86: Performance:     2238.588        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 86: 
@@ -203200,12 +203150,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       98.2
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:      663.142        0.036
+86: Performance:     2272.443        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (8684 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (1253 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -203258,9 +203208,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.016        0.016       99.7
+86:        Time:        0.003        0.003       98.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:       92.945        0.258
+86: Performance:      436.674        0.055
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -203312,9 +203262,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       98.2
+86:        Time:        0.001        0.001       96.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:      636.294        0.038
+86: Performance:     1854.483        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -203368,9 +203318,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.003        0.003       98.7
+86:        Time:        0.001        0.001       94.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:      443.336        0.054
+86: Performance:     2292.740        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -203425,9 +203375,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.004        0.004       98.8
+86:        Time:        0.001        0.001       95.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:      364.748        0.066
+86: Performance:     2161.612        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 86: 
@@ -203482,9 +203432,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.5
+86:        Time:        0.001        0.001       95.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1412.009        0.017
+86: Performance:     2167.697        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 86: 
@@ -203539,12 +203489,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.1
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2142.070        0.011
+86: Performance:     2148.045        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (14620 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (1246 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
@@ -203597,9 +203547,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.022        0.022       99.8
+86:        Time:        0.005        0.005       99.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:       67.163        0.357
+86: Performance:      292.512        0.082
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -203651,9 +203601,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.8
+86:        Time:        0.002        0.002       97.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1897.319        0.013
+86: Performance:      888.078        0.027
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -203707,9 +203657,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       98.3
+86:        Time:        0.001        0.001       97.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:      618.596        0.039
+86: Performance:      991.246        0.024
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -203764,9 +203714,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.4
+86:        Time:        0.001        0.001       96.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2048.070        0.012
+86: Performance:     1288.288        0.019
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 86: 
@@ -203821,9 +203771,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.2
+86:        Time:        0.002        0.002       98.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2103.310        0.011
+86: Performance:      687.720        0.035
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 86: 
@@ -203878,12 +203828,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.1
+86:        Time:        0.001        0.001       96.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2410.248        0.010
+86: Performance:     1183.819        0.020
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (42222 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (1541 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
@@ -203936,9 +203886,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.024        0.024       98.8
+86:        Time:        0.005        0.005       99.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:       60.584        0.396
+86: Performance:      272.183        0.088
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -203990,9 +203940,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.003       98.6
+86:        Time:        0.002        0.002       98.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:      584.774        0.041
+86: Performance:      730.794        0.033
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -204054,9 +204004,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       98.2
+86:        Time:        0.001        0.001       97.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1021.488        0.023
+86: Performance:     1371.764        0.017
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -204119,9 +204069,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.002       98.0
+86:        Time:        0.001        0.001       97.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:      964.854        0.025
+86: Performance:     1012.257        0.024
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 86: 
@@ -204184,9 +204134,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.0
+86:        Time:        0.001        0.001       96.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1837.338        0.013
+86: Performance:     2164.650        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 86: 
@@ -204248,16 +204198,13 @@
 86: 
 86: Writing final coordinates.
 86: 
-86: NOTE: 48 % of the run time was spent in pair search,
-86:       you might want to increase nstlist (this has no effect on accuracy)
-86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.003        0.003       98.9
+86:        Time:        0.001        0.002       97.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:      471.679        0.051
+86: Performance:      974.932        0.025
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (55599 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (1487 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -204310,9 +204257,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.012        0.012       99.6
+86:        Time:        0.009        0.009       99.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:      117.832        0.204
+86: Performance:      159.858        0.150
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -204364,9 +204311,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.005        0.005       99.4
+86:        Time:        0.007        0.007       99.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:      274.904        0.087
+86: Performance:      216.762        0.111
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -204420,9 +204367,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.2
+86:        Time:        0.001        0.001       97.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2214.448        0.011
+86: Performance:     1005.319        0.024
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -204477,9 +204424,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.0
+86:        Time:        0.002        0.002       97.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2080.579        0.012
+86: Performance:      940.262        0.026
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 86: 
@@ -204534,9 +204481,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.003        0.003       98.4
+86:        Time:        0.001        0.002       97.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:      536.357        0.045
+86: Performance:      970.019        0.025
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 86: 
@@ -204591,12 +204538,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.7
+86:        Time:        0.002        0.002       97.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2043.315        0.012
+86: Performance:      944.152        0.025
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (80375 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (2006 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
@@ -204649,9 +204596,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.007        0.007       99.4
+86:        Time:        0.005        0.005       99.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:      219.308        0.109
+86: Performance:      286.499        0.084
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -204703,9 +204650,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.2
+86:        Time:        0.002        0.002       98.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1980.898        0.012
+86: Performance:      930.603        0.026
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -204759,9 +204706,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.0
+86:        Time:        0.002        0.002       97.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2207.307        0.011
+86: Performance:      926.963        0.026
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -204816,9 +204763,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.006        0.006       99.3
+86:        Time:        0.002        0.002       98.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:      258.740        0.093
+86: Performance:      681.030        0.035
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 86: 
@@ -204873,9 +204820,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.002       59.3
+86:        Time:        0.001        0.001       97.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:      896.869        0.027
+86: Performance:      984.907        0.024
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 86: 
@@ -204930,12 +204877,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       97.7
+86:        Time:        0.002        0.002       98.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:      840.234        0.029
+86: Performance:      727.343        0.033
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (282181 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (1711 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
@@ -204992,9 +204939,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.007        0.007       99.6
+86:        Time:        0.001        0.001       97.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:      204.149        0.118
+86: Performance:     1333.173        0.018
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -205050,9 +204997,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.003        0.003       98.8
+86:        Time:        0.006        0.006       99.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:      506.253        0.047
+86: Performance:      248.853        0.096
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -205118,9 +205065,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       98.5
+86:        Time:        0.002        0.002       98.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:      772.876        0.031
+86: Performance:      860.779        0.028
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -205187,9 +205134,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.003        0.003       98.8
+86:        Time:        0.003        0.003       98.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:      564.519        0.043
+86: Performance:      561.074        0.043
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 86: 
@@ -205256,9 +205203,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       98.6
+86:        Time:        0.002        0.002       98.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:      758.974        0.032
+86: Performance:      746.015        0.032
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 86: 
@@ -205325,12 +205272,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.5
+86:        Time:        0.002        0.002       98.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1430.368        0.017
+86: Performance:      817.814        0.029
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (1681 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (1827 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
@@ -205389,7 +205336,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.006        0.006       99.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:      252.856        0.095
+86: Performance:      261.097        0.092
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -205445,9 +205392,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.004       26.0
+86:        Time:        0.002        0.002       98.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:      376.680        0.064
+86: Performance:      725.629        0.033
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -205505,9 +205452,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       98.3
+86:        Time:        0.002        0.002       98.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:      727.085        0.033
+86: Performance:      652.674        0.037
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -205566,9 +205513,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.8
+86:        Time:        0.002        0.002       98.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1214.628        0.020
+86: Performance:      770.556        0.031
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 86: 
@@ -205627,9 +205574,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.9
+86:        Time:        0.003        0.003       98.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1229.414        0.020
+86: Performance:      523.148        0.046
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 86: 
@@ -205688,12 +205635,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       98.3
+86:        Time:        0.001        0.001       97.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:      730.967        0.033
+86: Performance:     1512.173        0.016
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (1768 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (1566 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
@@ -205746,9 +205693,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.006        0.006       99.2
+86:        Time:        0.006        0.006       99.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:      263.781        0.091
+86: Performance:      229.701        0.104
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -205800,9 +205747,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       98.1
+86:        Time:        0.002        0.002       97.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:      752.577        0.032
+86: Performance:      767.388        0.031
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -205864,9 +205811,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       98.0
+86:        Time:        0.002        0.002       97.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:      818.140        0.029
+86: Performance:      903.976        0.027
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -205929,9 +205876,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.002        0.002       98.2
+86:        Time:        0.002        0.002       97.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:      779.723        0.031
+86: Performance:      850.206        0.028
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 86: 
@@ -205994,9 +205941,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.1
+86:        Time:        0.002        0.002       97.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1768.253        0.014
+86: Performance:      857.782        0.028
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 86: 
@@ -206059,12 +206006,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.1
+86:        Time:        0.002        0.002       97.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1654.295        0.015
+86: Performance:      881.218        0.027
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (1578 ms)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (1613 ms)
 86: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
@@ -206117,9 +206064,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.004        0.004       99.0
+86:        Time:        0.002        0.002       97.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:      375.646        0.064
+86: Performance:      772.779        0.031
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -206171,9 +206118,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.0
+86:        Time:        0.002        0.002       97.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1527.546        0.016
+86: Performance:      815.109        0.029
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -206227,9 +206174,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.0
+86:        Time:        0.002        0.002       97.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1721.798        0.014
+86: Performance:      892.193        0.027
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -206284,9 +206231,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.1
+86:        Time:        0.005        0.005       98.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1606.832        0.015
+86: Performance:      292.651        0.082
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 86: 
@@ -206341,9 +206288,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.8
+86:        Time:        0.002        0.002       97.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1613.566        0.015
+86: Performance:      779.033        0.031
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 86: 
@@ -206398,18 +206345,18 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.0
+86:        Time:        0.002        0.002       98.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1574.794        0.015
+86: Performance:      648.484        0.037
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
-86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (1178 ms)
-86: [----------] 13 tests from PropagatorsWithConstraints/PeriodicActionsTest (503363 ms total)
+86: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (1483 ms)
+86: [----------] 13 tests from PropagatorsWithConstraints/PeriodicActionsTest (19647 ms total)
 86: 
 86: [----------] Global test environment tear-down
-86: [==========] 13 tests from 1 test suite ran. (503376 ms total)
+86: [==========] 13 tests from 1 test suite ran. (19655 ms total)
 86: [  PASSED  ] 13 tests.
-86/92 Test #86: MdrunCoordinationConstraintsTests1Rank ....   Passed  503.42 sec
+86/92 Test #86: MdrunCoordinationConstraintsTests1Rank ....   Passed   19.67 sec
 test 87
       Start 87: MdrunCoordinationConstraintsTests2Ranks
 
@@ -206480,18 +206427,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 3.4%.
-87:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.8%.
+87:  Average load imbalance: 0.5%.
+87:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.3%.
 87: 
 87: 
-87: NOTE: 23 % of the run time was spent communicating energies,
+87: NOTE: 25 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      194.1
+87:        Time:        0.002        0.001      192.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1062.080        0.023
+87: Performance:     1412.170        0.017
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -206551,28 +206498,19 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 12.8%.
-87:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 5.6%.
-87: 
-87: NOTE: 5.6 % of the available CPU time was lost due to load imbalance
-87:       in the domain decomposition.
-87:       You can consider manually changing the decomposition (option -dd);
-87:       e.g. by using fewer domains along the box dimension in which there is
-87:       considerable inhomogeneity in the simulated system.
+87:  DLB was off during the run due to low measured imbalance.
+87:  Average load imbalance: 1.0%.
+87:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 87: 
-87: NOTE: 12 % of the run time was spent in domain decomposition,
-87:       6 % of the run time was spent in pair search,
-87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 22 % of the run time was spent communicating energies,
+87: NOTE: 25 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      194.2
+87:        Time:        0.002        0.001      190.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1069.548        0.022
+87: Performance:     1564.198        0.015
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -206643,27 +206581,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 21.3%.
+87:  Average load imbalance: 11.6%.
 87:  The balanceable part of the MD step is 39%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 8.3%.
-87: 
-87: NOTE: 8.3 % of the available CPU time was lost due to load imbalance
-87:       in the domain decomposition.
-87:       You can consider manually changing the decomposition (option -dd);
-87:       e.g. by using fewer domains along the box dimension in which there is
-87:       considerable inhomogeneity in the simulated system.
+87:  Part of the total run time spent waiting due to load imbalance: 4.5%.
 87: 
-87: NOTE: 13 % of the run time was spent in domain decomposition,
-87:       7 % of the run time was spent in pair search,
-87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 19 % of the run time was spent communicating energies,
+87: NOTE: 36 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      193.6
+87:        Time:        0.004        0.002      194.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1266.309        0.019
+87: Performance:      739.434        0.032
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -206734,28 +206663,23 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 18.5%.
+87:  DLB was off during the run due to low measured imbalance.
+87:  Average load imbalance: 2.2%.
 87:  The balanceable part of the MD step is 37%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 6.9%.
+87:  Part of the total run time spent waiting due to load imbalance: 0.8%.
 87: 
-87: NOTE: 6.9 % of the available CPU time was lost due to load imbalance
-87:       in the domain decomposition.
-87:       You can consider manually changing the decomposition (option -dd);
-87:       e.g. by using fewer domains along the box dimension in which there is
-87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 13 % of the run time was spent in domain decomposition,
-87:       7 % of the run time was spent in pair search,
+87: NOTE: 12 % of the run time was spent in domain decomposition,
+87:       5 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 20 % of the run time was spent communicating energies,
+87: NOTE: 26 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.9
+87:        Time:        0.002        0.001      190.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1249.233        0.019
+87: Performance:     1590.241        0.015
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 87: 
@@ -206826,28 +206750,23 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 24.4%.
-87:  The balanceable part of the MD step is 38%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 9.3%.
+87:  DLB was off during the run due to low measured imbalance.
+87:  Average load imbalance: 3.5%.
+87:  The balanceable part of the MD step is 34%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 1.2%.
 87: 
-87: NOTE: 9.3 % of the available CPU time was lost due to load imbalance
-87:       in the domain decomposition.
-87:       You can consider manually changing the decomposition (option -dd);
-87:       e.g. by using fewer domains along the box dimension in which there is
-87:       considerable inhomogeneity in the simulated system.
 87: 
 87: NOTE: 11 % of the run time was spent in domain decomposition,
-87:       6 % of the run time was spent in pair search,
+87:       3 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 22 % of the run time was spent communicating energies,
+87: NOTE: 36 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.5
+87:        Time:        0.003        0.002      194.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1367.198        0.018
+87: Performance:      877.828        0.027
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 87: 
@@ -206918,31 +206837,26 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 18.8%.
-87:  The balanceable part of the MD step is 36%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 6.8%.
+87:  DLB was off during the run due to low measured imbalance.
+87:  Average load imbalance: 3.5%.
+87:  The balanceable part of the MD step is 1%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.0%.
 87: 
-87: NOTE: 6.8 % of the available CPU time was lost due to load imbalance
-87:       in the domain decomposition.
-87:       You can consider manually changing the decomposition (option -dd);
-87:       e.g. by using fewer domains along the box dimension in which there is
-87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 15 % of the run time was spent in domain decomposition,
-87:       7 % of the run time was spent in pair search,
+87: NOTE: 68 % of the run time was spent in domain decomposition,
+87:       0 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 19 % of the run time was spent communicating energies,
+87: NOTE: 16 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.9
+87:        Time:        0.051        0.025      199.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1188.272        0.020
+87: Performance:       57.802        0.415
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (1343 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (2789 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -207004,18 +206918,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 0.3%.
-87:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 0.2%.
+87:  Average load imbalance: 0.6%.
+87:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.3%.
 87: 
 87: 
-87: NOTE: 47 % of the run time was spent communicating energies,
+87: NOTE: 69 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.021        0.010      198.8
+87:        Time:        0.037        0.018      199.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:      140.284        0.171
+87: Performance:       80.020        0.300
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -207076,22 +206990,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 0.8%.
+87:  Average load imbalance: 1.5%.
 87:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 0.4%.
-87: 
+87:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 87: 
-87: NOTE: 11 % of the run time was spent in domain decomposition,
-87:       5 % of the run time was spent in pair search,
-87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 25 % of the run time was spent communicating energies,
+87: NOTE: 46 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.4
+87:        Time:        0.015        0.007      198.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1567.980        0.015
+87: Performance:      200.201        0.120
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -207153,23 +207063,23 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 5.6%.
-87:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 2.3%.
+87:  DLB was off during the run due to low measured imbalance.
+87:  Average load imbalance: 0.0%.
+87:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.0%.
 87: 
 87: 
-87: NOTE: 11 % of the run time was spent in domain decomposition,
-87:       5 % of the run time was spent in pair search,
+87: NOTE: 15 % of the run time was spent in domain decomposition,
+87:       0 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 25 % of the run time was spent communicating energies,
+87: NOTE: 40 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.0
+87:        Time:        0.438        0.219      200.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1446.998        0.017
+87: Performance:        6.711        3.576
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -207232,28 +207142,23 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 14.1%.
-87:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 5.9%.
+87:  DLB was off during the run due to low measured imbalance.
+87:  Average load imbalance: 1.7%.
+87:  The balanceable part of the MD step is 38%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 87: 
-87: NOTE: 5.9 % of the available CPU time was lost due to load imbalance
-87:       in the domain decomposition.
-87:       You can consider manually changing the decomposition (option -dd);
-87:       e.g. by using fewer domains along the box dimension in which there is
-87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 11 % of the run time was spent in domain decomposition,
-87:       6 % of the run time was spent in pair search,
+87: NOTE: 12 % of the run time was spent in domain decomposition,
+87:       5 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 24 % of the run time was spent communicating energies,
+87: NOTE: 31 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      192.3
+87:        Time:        0.002        0.001      190.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1126.354        0.021
+87: Performance:     1372.528        0.017
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 87: 
@@ -207316,23 +207221,19 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 14.6%.
-87:  The balanceable part of the MD step is 31%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 4.5%.
-87: 
+87:  DLB was off during the run due to low measured imbalance.
+87:  Average load imbalance: 3.8%.
+87:  The balanceable part of the MD step is 35%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 1.3%.
 87: 
-87: NOTE: 25 % of the run time was spent in domain decomposition,
-87:       5 % of the run time was spent in pair search,
-87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 20 % of the run time was spent communicating energies,
+87: NOTE: 59 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      193.7
+87:        Time:        0.006        0.003      196.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:      938.614        0.026
+87: Performance:      449.318        0.053
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 87: 
@@ -207395,31 +207296,26 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 13.9%.
-87:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 5.9%.
+87:  DLB was off during the run due to low measured imbalance.
+87:  Average load imbalance: 1.6%.
+87:  The balanceable part of the MD step is 32%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 87: 
-87: NOTE: 5.9 % of the available CPU time was lost due to load imbalance
-87:       in the domain decomposition.
-87:       You can consider manually changing the decomposition (option -dd);
-87:       e.g. by using fewer domains along the box dimension in which there is
-87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 12 % of the run time was spent in domain decomposition,
-87:       6 % of the run time was spent in pair search,
+87: NOTE: 20 % of the run time was spent in domain decomposition,
+87:       0 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 24 % of the run time was spent communicating energies,
+87: NOTE: 31 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      193.1
+87:        Time:        0.324        0.162      199.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1125.839        0.021
+87: Performance:        9.052        2.651
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (1418 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (4920 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -207480,23 +207376,19 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 9.5%.
-87:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 4.6%.
-87: 
+87:  DLB was off during the run due to low measured imbalance.
+87:  Average load imbalance: 0.9%.
+87:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 87: 
-87: NOTE: 10 % of the run time was spent in domain decomposition,
-87:       5 % of the run time was spent in pair search,
-87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 22 % of the run time was spent communicating energies,
+87: NOTE: 54 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      193.8
+87:        Time:        0.013        0.006      198.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:      984.435        0.024
+87: Performance:      226.559        0.106
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -207556,23 +207448,23 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 11.4%.
-87:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 4.9%.
+87:  DLB was off during the run due to low measured imbalance.
+87:  Average load imbalance: 1.0%.
+87:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 87: 
 87: 
 87: NOTE: 12 % of the run time was spent in domain decomposition,
-87:       6 % of the run time was spent in pair search,
+87:       3 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 22 % of the run time was spent communicating energies,
+87: NOTE: 33 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      193.9
+87:        Time:        0.004        0.002      194.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1081.660        0.022
+87: Performance:      797.953        0.030
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -207634,28 +207526,23 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 14.4%.
-87:  The balanceable part of the MD step is 37%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 5.3%.
+87:  DLB was off during the run due to low measured imbalance.
+87:  Average load imbalance: 2.5%.
+87:  The balanceable part of the MD step is 38%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 87: 
-87: NOTE: 5.3 % of the available CPU time was lost due to load imbalance
-87:       in the domain decomposition.
-87:       You can consider manually changing the decomposition (option -dd);
-87:       e.g. by using fewer domains along the box dimension in which there is
-87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 16 % of the run time was spent in domain decomposition,
-87:       6 % of the run time was spent in pair search,
+87: NOTE: 13 % of the run time was spent in domain decomposition,
+87:       3 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 22 % of the run time was spent communicating energies,
+87: NOTE: 34 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      193.6
+87:        Time:        0.003        0.002      194.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1175.349        0.020
+87: Performance:      832.063        0.029
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -207718,28 +207605,23 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 16.6%.
-87:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 7.1%.
+87:  DLB was off during the run due to low measured imbalance.
+87:  Average load imbalance: 0.0%.
+87:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.0%.
 87: 
-87: NOTE: 7.1 % of the available CPU time was lost due to load imbalance
-87:       in the domain decomposition.
-87:       You can consider manually changing the decomposition (option -dd);
-87:       e.g. by using fewer domains along the box dimension in which there is
-87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 12 % of the run time was spent in domain decomposition,
-87:       6 % of the run time was spent in pair search,
+87: NOTE: 14 % of the run time was spent in domain decomposition,
+87:       0 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 23 % of the run time was spent communicating energies,
+87: NOTE: 37 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      193.5
+87:        Time:        1.464        0.748      195.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1134.339        0.021
+87: Performance:        1.964       12.220
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 87: 
@@ -207803,22 +207685,22 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 3.8%.
-87:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.7%.
+87:  Average load imbalance: 0.0%.
+87:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.0%.
 87: 
 87: 
 87: NOTE: 10 % of the run time was spent in domain decomposition,
-87:       5 % of the run time was spent in pair search,
+87:       0 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 29 % of the run time was spent communicating energies,
+87: NOTE: 40 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      190.0
+87:        Time:        1.254        0.627      200.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:      723.967        0.033
+87: Performance:        2.342       10.250
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 87: 
@@ -207881,31 +207763,26 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 13.7%.
+87:  DLB was off during the run due to low measured imbalance.
+87:  Average load imbalance: 2.7%.
 87:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 5.8%.
+87:  Part of the total run time spent waiting due to load imbalance: 1.1%.
 87: 
-87: NOTE: 5.8 % of the available CPU time was lost due to load imbalance
-87:       in the domain decomposition.
-87:       You can consider manually changing the decomposition (option -dd);
-87:       e.g. by using fewer domains along the box dimension in which there is
-87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 12 % of the run time was spent in domain decomposition,
-87:       6 % of the run time was spent in pair search,
+87: NOTE: 10 % of the run time was spent in domain decomposition,
+87:       5 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 23 % of the run time was spent communicating energies,
+87: NOTE: 29 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      193.3
+87:        Time:        0.002        0.001      189.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1190.913        0.020
+87: Performance:     1654.073        0.015
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (1387 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (4705 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -207961,9 +207838,9 @@
 87: Writing final coordinates.
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.007        0.004      197.3
+87:        Time:        0.010        0.005      197.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:      412.839        0.058
+87: Performance:      295.955        0.081
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -208021,9 +207898,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      187.9
+87:        Time:        0.003        0.001      193.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1198.792        0.020
+87: Performance:     1069.826        0.022
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -208091,9 +207968,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      186.1
+87:        Time:        0.002        0.001      192.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1333.751        0.018
+87: Performance:     1350.859        0.018
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -208158,13 +208035,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 7 % of the run time was spent communicating energies,
+87: NOTE: 6 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.6
+87:        Time:        0.002        0.001      192.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1230.396        0.020
+87: Performance:     1301.213        0.018
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 87: 
@@ -208233,9 +208110,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      189.2
+87:        Time:        0.002        0.001      192.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1276.939        0.019
+87: Performance:     1227.699        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 87: 
@@ -208300,16 +208177,16 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 6 % of the run time was spent communicating energies,
+87: NOTE: 5 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.3
+87:        Time:        0.002        0.001      190.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1250.882        0.019
+87: Performance:     1345.695        0.018
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (1268 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (1371 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -208365,9 +208242,9 @@
 87: Writing final coordinates.
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.007        0.004      197.2
+87:        Time:        0.010        0.005      197.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:      398.177        0.060
+87: Performance:      301.510        0.080
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -208421,10 +208298,13 @@
 87: 
 87: Writing final coordinates.
 87: 
+87: NOTE: 8 % of the run time was spent communicating energies,
+87:       you might want to increase some nst* mdp options
+87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.5
+87:        Time:        0.002        0.001      192.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1325.714        0.018
+87: Performance:     1178.046        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -208480,13 +208360,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 14 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.9
+87:        Time:        0.002        0.001      192.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1127.178        0.021
+87: Performance:     1183.250        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -208547,9 +208427,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      189.2
+87:        Time:        0.002        0.001      189.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1202.889        0.020
+87: Performance:     1222.825        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 87: 
@@ -208606,13 +208486,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 7 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.9
+87:        Time:        0.002        0.001      192.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1419.982        0.017
+87: Performance:     1248.474        0.019
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 87: 
@@ -208673,12 +208553,12 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.4
+87:        Time:        0.002        0.001      191.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1197.045        0.020
+87: Performance:     1190.798        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (1339 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (1337 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
@@ -208733,13 +208613,10 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 9 % of the run time was spent communicating energies,
-87:       you might want to increase some nst* mdp options
-87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      193.6
+87:        Time:        0.005        0.003      195.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1012.756        0.024
+87: Performance:      575.031        0.042
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -208797,9 +208674,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      193.0
+87:        Time:        0.002        0.001      192.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1131.214        0.021
+87: Performance:     1167.996        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -208855,13 +208732,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 9 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      193.0
+87:        Time:        0.002        0.001      192.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1268.264        0.019
+87: Performance:     1261.770        0.019
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -208922,9 +208799,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.5
+87:        Time:        0.002        0.001      192.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1209.382        0.020
+87: Performance:     1176.696        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 87: 
@@ -208985,9 +208862,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.5
+87:        Time:        0.002        0.001      192.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1228.924        0.020
+87: Performance:     1267.090        0.019
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 87: 
@@ -209044,13 +208921,16 @@
 87: 
 87: Writing final coordinates.
 87: 
+87: NOTE: 8 % of the run time was spent communicating energies,
+87:       you might want to increase some nst* mdp options
+87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      189.7
+87:        Time:        0.002        0.001      192.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1774.620        0.014
+87: Performance:     1248.853        0.019
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (1387 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (1337 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
@@ -209106,9 +208986,9 @@
 87: Writing final coordinates.
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.026        0.013      199.2
+87:        Time:        0.005        0.003      196.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:      113.157        0.212
+87: Performance:      562.894        0.043
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -209168,7 +209048,7 @@
 87:                Core t (s)   Wall t (s)        (%)
 87:        Time:        0.003        0.001      194.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1105.237        0.022
+87: Performance:     1112.925        0.022
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -209232,13 +209112,10 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 5 % of the run time was spent communicating energies,
-87:       you might want to increase some nst* mdp options
-87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      194.2
+87:        Time:        0.002        0.001      194.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1242.431        0.019
+87: Performance:     1199.726        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -209304,9 +209181,9 @@
 87: Writing final coordinates.
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      187.8
+87:        Time:        0.003        0.001      194.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1315.102        0.018
+87: Performance:     1100.106        0.022
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 87: 
@@ -209372,9 +209249,9 @@
 87: Writing final coordinates.
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      193.9
+87:        Time:        0.002        0.001      190.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1266.830        0.019
+87: Performance:     1711.038        0.014
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 87: 
@@ -209440,12 +209317,12 @@
 87: Writing final coordinates.
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      193.1
+87:        Time:        0.002        0.001      192.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1430.700        0.017
+87: Performance:     1397.594        0.017
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (1342 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (1372 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -209501,9 +209378,9 @@
 87: Writing final coordinates.
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.008        0.004      197.8
+87:        Time:        0.007        0.004      197.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:      387.106        0.062
+87: Performance:      396.933        0.060
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -209561,9 +209438,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      191.2
+87:        Time:        0.003        0.001      194.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1103.555        0.022
+87: Performance:     1117.061        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -209619,13 +209496,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 7 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.7
+87:        Time:        0.002        0.001      194.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1177.934        0.020
+87: Performance:     1175.798        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -209683,9 +209560,9 @@
 87: Writing final coordinates.
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.5
+87:        Time:        0.002        0.001      191.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1652.963        0.015
+87: Performance:     1729.532        0.014
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 87: 
@@ -209746,9 +209623,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      193.6
+87:        Time:        0.002        0.001      193.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1122.250        0.021
+87: Performance:     1174.901        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 87: 
@@ -209805,16 +209682,16 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 12 % of the run time was spent communicating energies,
+87: NOTE: 7 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      194.7
+87:        Time:        0.003        0.001      194.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1018.785        0.024
+87: Performance:     1113.025        0.022
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (1303 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (1305 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
@@ -209870,9 +209747,9 @@
 87: Writing final coordinates.
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.009        0.005      197.9
+87:        Time:        0.006        0.003      196.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:      312.736        0.077
+87: Performance:      475.942        0.050
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -209926,13 +209803,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 8 % of the run time was spent communicating energies,
+87: NOTE: 9 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      193.5
+87:        Time:        0.003        0.001      194.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1079.953        0.022
+87: Performance:     1030.975        0.023
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -209992,9 +209869,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      194.0
+87:        Time:        0.002        0.001      193.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1144.241        0.021
+87: Performance:     1156.376        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -210051,13 +209928,10 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 7 % of the run time was spent communicating energies,
-87:       you might want to increase some nst* mdp options
-87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      193.9
+87:        Time:        0.002        0.001      191.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1113.729        0.022
+87: Performance:     1569.978        0.015
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 87: 
@@ -210118,9 +209992,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      193.8
+87:        Time:        0.002        0.001      193.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1142.014        0.021
+87: Performance:     1180.417        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 87: 
@@ -210177,16 +210051,16 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 7 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      193.8
+87:        Time:        0.003        0.001      194.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1105.436        0.022
+87: Performance:     1068.713        0.022
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (1332 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (1281 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
@@ -210248,18 +210122,15 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 7.3%.
-87:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 3.9%.
-87: 
+87:  Average load imbalance: 8.0%.
+87:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 4.2%.
 87: 
-87: NOTE: 10 % of the run time was spent communicating energies,
-87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      193.1
+87:        Time:        0.009        0.004      196.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:      712.331        0.034
+87: Performance:      328.828        0.073
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -210320,23 +210191,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 9.7%.
+87:  Average load imbalance: 9.3%.
 87:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 5.2%.
+87:  Part of the total run time spent waiting due to load imbalance: 4.9%.
 87: 
-87: NOTE: 5.2 % of the available CPU time was lost due to load imbalance
-87:       in the domain decomposition.
-87:       You can consider manually changing the decomposition (option -dd);
-87:       e.g. by using fewer domains along the box dimension in which there is
-87:       considerable inhomogeneity in the simulated system.
 87: 
 87: NOTE: 10 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      192.9
+87:        Time:        0.004        0.002      193.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:      816.189        0.029
+87: Performance:      797.953        0.030
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -210407,11 +210273,11 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 14.6%.
-87:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 6.9%.
+87:  Average load imbalance: 14.3%.
+87:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 7.3%.
 87: 
-87: NOTE: 6.9 % of the available CPU time was lost due to load imbalance
+87: NOTE: 7.3 % of the available CPU time was lost due to load imbalance
 87:       in the domain decomposition.
 87:       You can consider manually changing the decomposition (option -dd);
 87:       e.g. by using fewer domains along the box dimension in which there is
@@ -210421,9 +210287,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      192.8
+87:        Time:        0.003        0.002      193.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:      917.438        0.026
+87: Performance:      844.322        0.028
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -210495,23 +210361,20 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 15.1%.
-87:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 6.5%.
+87:  Average load imbalance: 15.9%.
+87:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 7.5%.
 87: 
-87: NOTE: 6.5 % of the available CPU time was lost due to load imbalance
+87: NOTE: 7.5 % of the available CPU time was lost due to load imbalance
 87:       in the domain decomposition.
 87:       You can consider manually changing the decomposition (option -dd);
 87:       e.g. by using fewer domains along the box dimension in which there is
 87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 5 % of the run time was spent communicating energies,
-87:       you might want to increase some nst* mdp options
-87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      192.3
+87:        Time:        0.004        0.002      193.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:      886.735        0.027
+87: Performance:      772.343        0.031
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 87: 
@@ -210583,20 +210446,20 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 13.5%.
-87:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 6.3%.
+87:  Average load imbalance: 17.0%.
+87:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 7.5%.
 87: 
-87: NOTE: 6.3 % of the available CPU time was lost due to load imbalance
+87: NOTE: 7.5 % of the available CPU time was lost due to load imbalance
 87:       in the domain decomposition.
 87:       You can consider manually changing the decomposition (option -dd);
 87:       e.g. by using fewer domains along the box dimension in which there is
 87:       considerable inhomogeneity in the simulated system.
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      193.4
+87:        Time:        0.003        0.002      192.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:      871.494        0.028
+87: Performance:      869.833        0.028
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 87: 
@@ -210668,23 +210531,23 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 15.5%.
+87:  Average load imbalance: 17.0%.
 87:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 7.0%.
+87:  Part of the total run time spent waiting due to load imbalance: 7.7%.
 87: 
-87: NOTE: 7.0 % of the available CPU time was lost due to load imbalance
+87: NOTE: 7.7 % of the available CPU time was lost due to load imbalance
 87:       in the domain decomposition.
 87:       You can consider manually changing the decomposition (option -dd);
 87:       e.g. by using fewer domains along the box dimension in which there is
 87:       considerable inhomogeneity in the simulated system.
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      192.1
+87:        Time:        0.004        0.002      192.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:      886.480        0.027
+87: Performance:      797.643        0.030
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (1310 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (1323 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
@@ -210746,15 +210609,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 5.0%.
+87:  Average load imbalance: 7.7%.
 87:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 2.6%.
+87:  Part of the total run time spent waiting due to load imbalance: 4.0%.
+87: 
 87: 
+87: NOTE: 9 % of the run time was spent communicating energies,
+87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.007        0.004      191.7
+87:        Time:        0.004        0.002      193.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:      407.892        0.059
+87: Performance:      703.585        0.034
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -210814,16 +210680,19 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 0.6%.
-87:  The balanceable part of the MD step is 59%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 0.3%.
+87:  DLB got disabled because it was unsuitable to use.
+87:  Average load imbalance: 8.4%.
+87:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 4.4%.
 87: 
 87: 
+87: NOTE: 10 % of the run time was spent communicating energies,
+87:       you might want to increase some nst* mdp options
+87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      187.7
+87:        Time:        0.004        0.002      191.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:      913.628        0.026
+87: Performance:      787.447        0.030
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -210885,16 +210754,28 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 1.1%.
-87:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+87:  DLB got disabled because it was unsuitable to use.
+87:  Average load imbalance: 11.7%.
+87:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 5.6%.
+87: 
+87: NOTE: 5.6 % of the available CPU time was lost due to load imbalance
+87:       in the domain decomposition.
+87:       You can consider manually changing the decomposition (option -dd);
+87:       e.g. by using fewer domains along the box dimension in which there is
+87:       considerable inhomogeneity in the simulated system.
+87: 
+87: NOTE: 12 % of the run time was spent in domain decomposition,
+87:       5 % of the run time was spent in pair search,
+87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
+87: NOTE: 9 % of the run time was spent communicating energies,
+87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      189.6
+87:        Time:        0.004        0.002      192.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1087.196        0.022
+87: Performance:      769.449        0.031
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -210957,19 +210838,24 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 3.7%.
-87:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.8%.
+87:  DLB got disabled because it was unsuitable to use.
+87:  Average load imbalance: 11.9%.
+87:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 6.0%.
 87: 
+87: NOTE: 6.0 % of the available CPU time was lost due to load imbalance
+87:       in the domain decomposition.
+87:       You can consider manually changing the decomposition (option -dd);
+87:       e.g. by using fewer domains along the box dimension in which there is
+87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 6 % of the run time was spent communicating energies,
+87: NOTE: 11 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      190.1
+87:        Time:        0.004        0.002      193.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1076.933        0.022
+87: Performance:      758.787        0.032
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 87: 
@@ -211034,22 +210920,22 @@
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
 87:  Average load imbalance: 11.6%.
-87:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 5.5%.
+87:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 5.7%.
 87: 
-87: NOTE: 5.5 % of the available CPU time was lost due to load imbalance
+87: NOTE: 5.7 % of the available CPU time was lost due to load imbalance
 87:       in the domain decomposition.
 87:       You can consider manually changing the decomposition (option -dd);
 87:       e.g. by using fewer domains along the box dimension in which there is
 87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 10 % of the run time was spent communicating energies,
+87: NOTE: 9 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      192.7
+87:        Time:        0.004        0.002      192.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:      771.666        0.031
+87: Performance:      784.789        0.031
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 87: 
@@ -211113,8 +210999,8 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB got disabled because it was unsuitable to use.
-87:  Average load imbalance: 10.7%.
-87:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
+87:  Average load imbalance: 11.0%.
+87:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
 87:  Part of the total run time spent waiting due to load imbalance: 5.4%.
 87: 
 87: NOTE: 5.4 % of the available CPU time was lost due to load imbalance
@@ -211123,16 +211009,16 @@
 87:       e.g. by using fewer domains along the box dimension in which there is
 87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 11 % of the run time was spent communicating energies,
+87: NOTE: 9 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      192.7
+87:        Time:        0.004        0.002      192.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:      750.743        0.032
+87: Performance:      800.701        0.030
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (1451 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (1367 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
@@ -211187,10 +211073,13 @@
 87: 
 87: Writing final coordinates.
 87: 
+87: NOTE: 6 % of the run time was spent communicating energies,
+87:       you might want to increase some nst* mdp options
+87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.009        0.005      195.8
+87:        Time:        0.003        0.002      190.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:      306.810        0.078
+87: Performance:      877.328        0.027
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -211244,13 +211133,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 8 % of the run time was spent communicating energies,
+87: NOTE: 9 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
 87:        Time:        0.004        0.002      191.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:      772.198        0.031
+87: Performance:      780.810        0.031
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -211318,9 +211207,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      191.2
+87:        Time:        0.003        0.002      191.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:      874.091        0.027
+87: Performance:      862.707        0.028
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -211385,13 +211274,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 5 % of the run time was spent communicating energies,
+87: NOTE: 6 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      191.7
+87:        Time:        0.003        0.002      191.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:      796.457        0.030
+87: Performance:      814.678        0.029
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 87: 
@@ -211456,13 +211345,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 6 % of the run time was spent communicating energies,
+87: NOTE: 5 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      190.7
+87:        Time:        0.004        0.002      191.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:      804.098        0.030
+87: Performance:      800.441        0.030
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 87: 
@@ -211531,12 +211420,12 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      190.1
+87:        Time:        0.003        0.002      190.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:      832.063        0.029
+87: Performance:      854.155        0.028
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (1408 ms)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (1375 ms)
 87: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
@@ -211592,9 +211481,9 @@
 87: Writing final coordinates.
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.010        0.005      196.2
+87:        Time:        0.011        0.006      196.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:      286.293        0.084
+87: Performance:      262.975        0.091
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -211648,13 +211537,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 8 % of the run time was spent communicating energies,
+87: NOTE: 9 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
 87:        Time:        0.004        0.002      191.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:      792.410        0.030
+87: Performance:      759.770        0.032
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -211714,9 +211603,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      191.2
+87:        Time:        0.003        0.002      188.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:      806.994        0.030
+87: Performance:      809.592        0.030
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -211773,13 +211662,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 8 % of the run time was spent communicating energies,
+87: NOTE: 9 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      190.9
+87:        Time:        0.004        0.002      191.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:      656.570        0.037
+87: Performance:      765.957        0.031
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 87: 
@@ -211836,13 +211725,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 8 % of the run time was spent communicating energies,
+87: NOTE: 7 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      190.7
+87:        Time:        0.004        0.002      192.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:      774.187        0.031
+87: Performance:      708.033        0.034
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 87: 
@@ -211903,18 +211792,18 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      191.5
+87:        Time:        0.004        0.002      191.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:      785.991        0.031
+87: Performance:      785.790        0.031
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
-87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (1384 ms)
-87: [----------] 13 tests from PropagatorsWithConstraints/PeriodicActionsTest (17677 ms total)
+87: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (1342 ms)
+87: [----------] 13 tests from PropagatorsWithConstraints/PeriodicActionsTest (25831 ms total)
 87: 
 87: [----------] Global test environment tear-down
-87: [==========] 13 tests from 1 test suite ran. (17721 ms total)
+87: [==========] 13 tests from 1 test suite ran. (25846 ms total)
 87: [  PASSED  ] 13 tests.
-87/92 Test #87: MdrunCoordinationConstraintsTests2Ranks ...   Passed   17.78 sec
+87/92 Test #87: MdrunCoordinationConstraintsTests2Ranks ...   Passed   25.87 sec
 test 88
       Start 88: MdrunFEPTests
 
@@ -211981,9 +211870,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.021        0.011      199.2
+88:        Time:        0.019        0.010      198.9
 88:                  (ns/day)    (hour/ns)
-88: Performance:      139.222        0.172
+88: Performance:      153.673        0.156
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsembleTest_ContinuationPreservesExpandedEnsembleState.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 88: Overriding nsteps with value passed on the command line: 8 steps, 0.008 ps
 88: Changing nstlist from 8 to 20, rlist from 0.759 to 0.868
@@ -212003,10 +211892,10 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.006        0.003      194.6
+88:        Time:        0.007        0.004      194.5
 88:                  (ns/day)    (hour/ns)
-88: Performance:      265.119        0.091
-88: [       OK ] ExpandedEnsembleTest.ContinuationPreservesExpandedEnsembleState (48 ms)
+88: Performance:      207.408        0.116
+88: [       OK ] ExpandedEnsembleTest.ContinuationPreservesExpandedEnsembleState (63 ms)
 88: [ RUN      ] ExpandedEnsembleTest.WeightEquilibrationReported
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsembleTest_WeightEquilibrationReported_input.mdp]:
@@ -212064,11 +211953,11 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.004        0.002      196.7
+88:        Time:        0.004        0.002      196.2
 88:                  (ns/day)    (hour/ns)
-88: Performance:       78.490        0.306
-88: [       OK ] ExpandedEnsembleTest.WeightEquilibrationReported (17 ms)
-88: [----------] 2 tests from ExpandedEnsembleTest (65 ms total)
+88: Performance:       87.228        0.275
+88: [       OK ] ExpandedEnsembleTest.WeightEquilibrationReported (21 ms)
+88: [----------] 2 tests from ExpandedEnsembleTest (85 ms total)
 88: 
 88: [----------] 12 tests from EquivalentToReference/FreeEnergyReferenceTest
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwsequential_coul_d
@@ -212115,7 +212004,7 @@
 88:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 88: starting mdrun 'AA'
 88: 20 steps,      0.0 ps.
-88: Setting the LD random seed to -1616185350
+88: Setting the LD random seed to -141041058
 88: 
 88: Generated 153 of the 153 non-bonded parameter combinations
 88: 
@@ -212156,13 +212045,13 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.158        0.079      199.9
+88:        Time:        0.132        0.066      199.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:       22.941        1.046
+88: Performance:       27.455        0.874
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_coul_d_energy.edr as double precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         trr version: GMX_trn_file (double precision)
 88: 
-88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwsequential_coul_d (165 ms)
+88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwsequential_coul_d (147 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwsequential_vdw_d
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/coulandvdwsequential_vdw/grompp.mdp, line 148]:
@@ -212207,7 +212096,7 @@
 88:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 88: starting mdrun 'AA'
 88: 20 steps,      0.0 ps.
-88: Setting the LD random seed to -696369444
+88: Setting the LD random seed to -17596561
 88: 
 88: Generated 153 of the 153 non-bonded parameter combinations
 88: 
@@ -212248,12 +212137,12 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.135        0.068      199.9
+88:        Time:        0.129        0.065      199.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:       26.790        0.896
+88: Performance:       28.116        0.854
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_vdw_d_energy.edr as double precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         
-88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwsequential_vdw_d (150 ms)
+88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwsequential_vdw_d (142 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_d
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/coulandvdwtogether/grompp.mdp, line 147]:
@@ -212306,7 +212195,7 @@
 88:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 88: starting mdrun 'AA'
 88: 20 steps,      0.0 ps.
-88: Setting the LD random seed to -281064785
+88: Setting the LD random seed to -545292294
 88: 
 88: Generated 153 of the 153 non-bonded parameter combinations
 88: 
@@ -212347,12 +212236,12 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.115        0.057      199.8
+88:        Time:        0.102        0.051      199.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:       31.600        0.759
+88: Performance:       35.442        0.677
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwtogether_d_energy.edr as double precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         
-88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_d (138 ms)
+88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_d (128 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_net_charge_d
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/coulandvdwtogether-net-charge/grompp.mdp, line 147]:
@@ -212391,7 +212280,7 @@
 88:   neutralize your system with counter ions, possibly in combination with a
 88:   physiological salt concentration.
 88: 
-88: Setting the LD random seed to -1141983409
+88: Setting the LD random seed to -833843445
 88: 
 88: Generated 171 of the 171 non-bonded parameter combinations
 88: 
@@ -212477,12 +212366,12 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.118        0.059      199.8
+88:        Time:        0.112        0.056      199.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:       30.853        0.778
+88: Performance:       32.313        0.743
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwtogether_net_charge_d_energy.edr as double precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         
-88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_net_charge_d (79 ms)
+88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_net_charge_d (74 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_decouple_counter_charge_d
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/coulandvdwtogether-decouple-counter-charge/grompp.mdp, line 147]:
@@ -212521,7 +212410,7 @@
 88:   neutralize your system with counter ions, possibly in combination with a
 88:   physiological salt concentration.
 88: 
-88: Setting the LD random seed to -1107558465
+88: Setting the LD random seed to -1084325889
 88: 
 88: Generated 190 of the 190 non-bonded parameter combinations
 88: 
@@ -212611,12 +212500,12 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.109        0.054      199.8
+88:        Time:        0.107        0.053      199.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:       33.406        0.718
+88: Performance:       33.943        0.707
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwtogether_decouple_counter_charge_d_energy.edr as double precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         
-88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_decouple_counter_charge_d (72 ms)
+88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_decouple_counter_charge_d (69 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/expanded_d
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/expanded/grompp.mdp, line 171]:
@@ -212666,7 +212555,7 @@
 88:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 88: starting mdrun 'AA'
 88: 100 steps,      0.1 ps.
-88: Setting the LD random seed to 1811803935
+88: Setting the LD random seed to 998230655
 88: 
 88: Generated 153 of the 153 non-bonded parameter combinations
 88: 
@@ -212707,11 +212596,11 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.380        0.190      200.0
+88:        Time:        0.379        0.190      199.9
 88:                  (ns/day)    (hour/ns)
-88: Performance:       45.889        0.523
+88: Performance:       46.006        0.522
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_expanded_d_energy.edr as double precision energy file
-88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Reading energy frame     30 time    0.030         
Reading energy frame     40 time    0.040         
Reading energy frame     50 time    0.050         
Reading energy frame     60 time    0.060         
Reading energy frame     70 time    0.070         
Reading energy frame     80 time    0.080         
Reading energy frame     90 time    0.090         
Reading energy frame    100 time    0.100         
Last energy frame read 100 time    0.100         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/expanded_d (273 ms)
+88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Reading energy frame     30 time    0.030         
Reading energy frame     40 time    0.040         
Reading energy frame     50 time    0.050         
Reading energy frame     60 time    0.060         
Reading energy frame     70 time    0.070         
Reading energy frame     80 time    0.080         
Reading energy frame     90 time    0.090         
Reading energy frame    100 time    0.100         
Last energy frame read 100 time    0.100         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/expanded_d (269 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/relative_d
 88: 
 88: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/relative/grompp.mdp]:
@@ -212811,7 +212700,7 @@
 88:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 88: starting mdrun 'AA'
 88: 20 steps,      0.0 ps.
-88: Setting the LD random seed to 729775099
+88: Setting the LD random seed to 2013263087
 88: 
 88: Generated 136 of the 136 non-bonded parameter combinations
 88: 
@@ -212850,12 +212739,12 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.184        0.092      199.9
+88:        Time:        0.182        0.091      199.9
 88:                  (ns/day)    (hour/ns)
-88: Performance:       19.760        1.215
+88: Performance:       19.981        1.201
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_d_energy.edr as double precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         
-88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/relative_d (172 ms)
+88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/relative_d (167 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/relative_position_restraints_d
 88: 
 88: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/relative-position-restraints/grompp.mdp]:
@@ -212961,7 +212850,7 @@
 88:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 88: starting mdrun 'AA'
 88: 20 steps,      0.0 ps.
-88: Setting the LD random seed to 1609557372
+88: Setting the LD random seed to -72975643
 88: 
 88: Generated 136 of the 136 non-bonded parameter combinations
 88: 
@@ -213000,12 +212889,12 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.146        0.073      199.9
+88:        Time:        0.170        0.085      199.9
 88:                  (ns/day)    (hour/ns)
-88: Performance:       24.811        0.967
+88: Performance:       21.369        1.123
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_position_restraints_d_energy.edr as double precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         
-88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/relative_position_restraints_d (155 ms)
+88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/relative_position_restraints_d (162 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/restraints_d
 88: 
 88: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/restraints/grompp.mdp]:
@@ -213045,7 +212934,7 @@
 88:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 88: starting mdrun 'AA'
 88: 20 steps,      0.0 ps.
-88: Setting the LD random seed to -272675873
+88: Setting the LD random seed to 2132672463
 88: 
 88: Generated 136 of the 136 non-bonded parameter combinations
 88: 
@@ -213084,12 +212973,12 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.061        0.030      199.7
+88:        Time:        0.055        0.027      199.6
 88:                  (ns/day)    (hour/ns)
-88: Performance:       59.739        0.402
+88: Performance:       66.228        0.362
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_restraints_d_energy.edr as double precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         
-88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/restraints_d (108 ms)
+88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/restraints_d (101 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/simtemp_d
 88: 
 88: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/simtemp/grompp.mdp]:
@@ -213127,12 +213016,12 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.057        0.029      199.5
+88:        Time:        0.053        0.027      199.6
 88:                  (ns/day)    (hour/ns)
-88: Performance:       63.134        0.380
+88: Performance:       68.092        0.352
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_simtemp_d_energy.edr as double precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         
-88: Setting the LD random seed to -2248754
+88: Setting the LD random seed to 2113398591
 88: 
 88: Generated 136 of the 136 non-bonded parameter combinations
 88: 
@@ -213167,7 +213056,7 @@
 88: Estimate for the relative computational load of the PME mesh part: 0.87
 88: 
 88: This run will generate roughly 0 Mb of data
-88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/simtemp_d (108 ms)
+88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/simtemp_d (101 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/transformAtoB_d
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/transformAtoB/grompp.mdp]:
@@ -213215,7 +213104,7 @@
 88:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 88: starting mdrun 'AA'
 88: 20 steps,      0.0 ps.
-88: Setting the LD random seed to -1695342602
+88: Setting the LD random seed to -706916395
 88: 
 88: Generated 136 of the 136 non-bonded parameter combinations
 88: 
@@ -213254,12 +213143,12 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.151        0.076      199.9
+88:        Time:        0.125        0.063      199.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:       23.983        1.001
+88: Performance:       28.960        0.829
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_transformAtoB_d_energy.edr as double precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         
-88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/transformAtoB_d (155 ms)
+88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/transformAtoB_d (138 ms)
 88: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/vdwalone_d
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/vdwalone/grompp.mdp]:
@@ -213307,7 +213196,7 @@
 88:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 88: starting mdrun 'AA'
 88: 20 steps,      0.0 ps.
-88: Setting the LD random seed to -538706601
+88: Setting the LD random seed to -537932935
 88: 
 88: Generated 136 of the 136 non-bonded parameter combinations
 88: 
@@ -213346,18 +213235,18 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.073        0.037      199.7
+88:        Time:        0.061        0.031      199.6
 88:                  (ns/day)    (hour/ns)
-88: Performance:       49.693        0.483
+88: Performance:       59.107        0.406
 88: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_vdwalone_d_energy.edr as double precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         
-88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/vdwalone_d (117 ms)
-88: [----------] 12 tests from EquivalentToReference/FreeEnergyReferenceTest (1701 ms total)
+88: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/vdwalone_d (105 ms)
+88: [----------] 12 tests from EquivalentToReference/FreeEnergyReferenceTest (1611 ms total)
 88: 
 88: [----------] Global test environment tear-down
-88: [==========] 14 tests from 2 test suites ran. (1780 ms total)
+88: [==========] 14 tests from 2 test suites ran. (1719 ms total)
 88: [  PASSED  ] 14 tests.
-88/92 Test #88: MdrunFEPTests .............................   Passed    1.80 sec
+88/92 Test #88: MdrunFEPTests .............................   Passed    1.74 sec
 test 89
       Start 89: MdrunPullTests
 
@@ -213415,15 +213304,15 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 12 % of the run time was spent in pair search,
+89: NOTE: 13 % of the run time was spent in pair search,
 89:       you might want to increase nstlist (this has no effect on accuracy)
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.063        0.032      199.7
+89:        Time:        0.064        0.032      199.7
 89:                  (ns/day)    (hour/ns)
-89: Performance:       57.164        0.420
+89: Performance:       56.457        0.425
 89: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PullTest_PullIntegrationTest_WithinTolerances_0.edr as double precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/0 (253 ms)
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/0 (259 ms)
 89: [ RUN      ] PullTest/PullIntegrationTest.WithinTolerances/1
 89: Generating 1-4 interactions: fudge = 0.5
 89: Pull group 1 'r_1' has 3 atoms
@@ -213472,15 +213361,15 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 12 % of the run time was spent in pair search,
+89: NOTE: 10 % of the run time was spent in pair search,
 89:       you might want to increase nstlist (this has no effect on accuracy)
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.063        0.032      199.7
+89:        Time:        0.075        0.038      199.3
 89:                  (ns/day)    (hour/ns)
-89: Performance:       57.139        0.420
+89: Performance:       48.148        0.498
 89: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PullTest_PullIntegrationTest_WithinTolerances_1.edr as double precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/1 (243 ms)
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/1 (253 ms)
 89: [ RUN      ] PullTest/PullIntegrationTest.WithinTolerances/2
 89: Generating 1-4 interactions: fudge = 0.5
 89: Pull group 1 'r_1' has 3 atoms
@@ -213536,11 +213425,11 @@
 89:       you might want to increase nstlist (this has no effect on accuracy)
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.102        0.051      199.8
+89:        Time:        0.063        0.031      199.7
 89:                  (ns/day)    (hour/ns)
-89: Performance:       35.373        0.678
+89: Performance:       57.898        0.415
 89: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PullTest_PullIntegrationTest_WithinTolerances_2.edr as double precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/2 (269 ms)
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/2 (293 ms)
 89: [ RUN      ] PullTest/PullIntegrationTest.WithinTolerances/3
 89: Generating 1-4 interactions: fudge = 0.5
 89: Pull group 1 'r_1' has 3 atoms
@@ -213595,17 +213484,17 @@
 89:       you might want to increase nstlist (this has no effect on accuracy)
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.064        0.032      199.7
+89:        Time:        0.065        0.032      199.6
 89:                  (ns/day)    (hour/ns)
-89: Performance:       56.827        0.422
+89: Performance:       56.135        0.428
 89: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PullTest_PullIntegrationTest_WithinTolerances_3.edr as double precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/3 (254 ms)
-89: [----------] 4 tests from PullTest/PullIntegrationTest (1022 ms total)
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/3 (248 ms)
+89: [----------] 4 tests from PullTest/PullIntegrationTest (1055 ms total)
 89: 
 89: [----------] Global test environment tear-down
-89: [==========] 4 tests from 1 test suite ran. (1031 ms total)
+89: [==========] 4 tests from 1 test suite ran. (1070 ms total)
 89: [  PASSED  ] 4 tests.
-89/92 Test #89: MdrunPullTests ............................   Passed    1.05 sec
+89/92 Test #89: MdrunPullTests ............................   Passed    1.10 sec
 test 90
       Start 90: MdrunRotationTests
 
@@ -213648,7 +213537,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to -138469521
+90: Setting the LD random seed to -875906081
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -213667,13 +213556,13 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.007        0.003      196.5
+90:        Time:        0.006        0.003      195.7
 90:                  (ns/day)    (hour/ns)
-90: Performance:     1305.812        0.018
+90: Performance:     1517.733        0.016
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_0.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_0.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/0 (20 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/0 (15 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/1
 90: Enforced rotation: Group 0 (iso-pf) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -213706,7 +213595,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to 2113924091
+90: Setting the LD random seed to 2080231135
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -213727,11 +213616,11 @@
 90:                Core t (s)   Wall t (s)        (%)
 90:        Time:        0.002        0.001      192.8
 90:                  (ns/day)    (hour/ns)
-90: Performance:     3567.620        0.007
+90: Performance:     3471.020        0.007
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_1.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_1.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/1 (9 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/1 (10 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/2
 90: Enforced rotation: Group 0 (pm) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -213764,7 +213653,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to -739262529
+90: Setting the LD random seed to -51798025
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -213783,13 +213672,13 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.002        0.001      192.4
+90:        Time:        0.003        0.002      194.6
 90:                  (ns/day)    (hour/ns)
-90: Performance:     4145.220        0.006
+90: Performance:     2651.121        0.009
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_2.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_2.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/2 (8 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/2 (9 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/3
 90: Enforced rotation: Group 0 (pm-pf) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -213822,7 +213711,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to 368896744
+90: Setting the LD random seed to -1110343773
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -213840,14 +213729,17 @@
 90: 
 90: Writing final coordinates.
 90: 
+90: NOTE: 11 % of the run time was spent in pair search,
+90:       you might want to increase nstlist (this has no effect on accuracy)
+90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.002        0.001      192.5
+90:        Time:        0.002        0.001      191.7
 90:                  (ns/day)    (hour/ns)
-90: Performance:     4235.597        0.006
+90: Performance:     4536.391        0.005
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_3.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_3.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/3 (8 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/3 (12 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/4
 90: Enforced rotation: Group 0 (rm) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -213880,7 +213772,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to -4229129
+90: Setting the LD random seed to -548447313
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -213898,14 +213790,17 @@
 90: 
 90: Writing final coordinates.
 90: 
+90: NOTE: 10 % of the run time was spent in pair search,
+90:       you might want to increase nstlist (this has no effect on accuracy)
+90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.002        0.001      193.1
+90:        Time:        0.002        0.001      193.3
 90:                  (ns/day)    (hour/ns)
-90: Performance:     4259.532        0.006
+90: Performance:     4677.133        0.005
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_4.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_4.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/4 (7 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/4 (5 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/5
 90: Enforced rotation: Group 0 (rm-pf) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -213938,7 +213833,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to -541092097
+90: Setting the LD random seed to -427494914
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -213957,13 +213852,13 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.002        0.001      192.8
+90:        Time:        0.002        0.001      194.5
 90:                  (ns/day)    (hour/ns)
-90: Performance:     4685.273        0.005
+90: Performance:     3680.502        0.007
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_5.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_5.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/5 (7 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/5 (9 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/6
 90: Enforced rotation: Group 0 (rm2) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -213996,7 +213891,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to 1037806847
+90: Setting the LD random seed to -269488129
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -214015,13 +213910,13 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.002        0.001      193.1
+90:        Time:        0.002        0.001      193.4
 90:                  (ns/day)    (hour/ns)
-90: Performance:     4797.395        0.005
+90: Performance:     4606.250        0.005
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_6.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_6.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/6 (7 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/6 (5 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/7
 90: Enforced rotation: Group 0 (rm2-pf) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -214054,7 +213949,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to 99540682
+90: Setting the LD random seed to -412090945
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -214072,14 +213967,17 @@
 90: 
 90: Writing final coordinates.
 90: 
+90: NOTE: 10 % of the run time was spent in pair search,
+90:       you might want to increase nstlist (this has no effect on accuracy)
+90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.002        0.001      194.0
+90:        Time:        0.002        0.001      193.4
 90:                  (ns/day)    (hour/ns)
-90: Performance:     4353.007        0.006
+90: Performance:     5233.038        0.005
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_7.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_7.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/7 (6 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/7 (5 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/8
 90: Enforced rotation: Group 0 (flex) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -214112,7 +214010,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to -83894789
+90: Setting the LD random seed to 2139076322
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -214131,13 +214029,13 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.004        0.002      196.9
+90:        Time:        0.003        0.002      196.3
 90:                  (ns/day)    (hour/ns)
-90: Performance:     2077.179        0.012
+90: Performance:     2696.647        0.009
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_8.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_8.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/8 (8 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/8 (6 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/9
 90: Enforced rotation: Group 0 (flex-t) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -214170,7 +214068,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to -8703122
+90: Setting the LD random seed to -604127281
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -214189,13 +214087,13 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.003        0.002      196.2
+90:        Time:        0.003        0.002      196.0
 90:                  (ns/day)    (hour/ns)
-90: Performance:     2564.530        0.009
+90: Performance:     2656.728        0.009
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_9.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_9.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/9 (7 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/9 (6 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/10
 90: Enforced rotation: Group 0 (flex2) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -214228,7 +214126,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to -538249241
+90: Setting the LD random seed to -75761547
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -214247,13 +214145,13 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.003        0.002      196.4
+90:        Time:        0.004        0.002      196.6
 90:                  (ns/day)    (hour/ns)
-90: Performance:     2567.325        0.009
+90: Performance:     2073.522        0.012
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_10.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_10.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/10 (7 ms)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/10 (6 ms)
 90: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/11
 90: Enforced rotation: Group 0 (flex2-t) normalized rot. vector: 0.267261 0.534522 0.801784
 90: 
@@ -214286,7 +214184,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 90: 25 steps,      0.1 ps.
-90: Setting the LD random seed to -540817
+90: Setting the LD random seed to 134150839
 90: 
 90: Generated 1 of the 1 non-bonded parameter combinations
 90: 
@@ -214305,17 +214203,17 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.003        0.002      196.3
+90:        Time:        0.003        0.002      196.0
 90:                  (ns/day)    (hour/ns)
-90: Performance:     2538.961        0.009
+90: Performance:     2540.330        0.009
 90: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_11.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_11.edr as double precision energy file
 90: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/11 (7 ms)
-90: [----------] 12 tests from RotationWorks/RotationTest (107 ms total)
+90: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/11 (6 ms)
+90: [----------] 12 tests from RotationWorks/RotationTest (102 ms total)
 90: 
 90: [----------] Global test environment tear-down
-90: [==========] 12 tests from 1 test suite ran. (120 ms total)
+90: [==========] 12 tests from 1 test suite ran. (115 ms total)
 90: [  PASSED  ] 12 tests.
 90/92 Test #90: MdrunRotationTests ........................   Passed    0.14 sec
 test 91
@@ -214379,9 +214277,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.004        0.002      197.8
+91:        Time:        0.004        0.002      197.3
 91:                  (ns/day)    (hour/ns)
-91: Performance:      699.035        0.034
+91: Performance:      765.481        0.031
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_1_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Can not increase nstlist because an NVE ensemble is used
 91: Using 1 MPI thread
@@ -214398,15 +214296,15 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      192.3
+91:        Time:        0.002        0.001      193.0
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1587.373        0.015
+91: Performance:     1801.870        0.013
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_1_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_1_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         trr version: GMX_trn_file (double precision)
 91: 
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/1 (10 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/1 (9 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/2
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_2_input.mdp]:
@@ -214465,9 +214363,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      196.1
+91:        Time:        0.002        0.001      195.7
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1421.129        0.017
+91: Performance:     1359.054        0.018
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_2_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Can not increase nstlist because an NVE ensemble is used
 91: Using 1 MPI thread
@@ -214484,9 +214382,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.1
+91:        Time:        0.002        0.001      192.9
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1541.304        0.016
+91: Performance:     1783.095        0.013
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_2_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_2_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -214544,9 +214442,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      194.9
+91:        Time:        0.002        0.001      169.3
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1563.602        0.015
+91: Performance:     1435.701        0.017
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_6_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -214564,14 +214462,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      195.2
+91:        Time:        0.002        0.001      193.0
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1241.054        0.019
+91: Performance:     1834.602        0.013
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_6_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_6_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/6 (8 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/6 (7 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/7
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_7_input.mdp]:
@@ -214626,9 +214524,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      195.0
+91:        Time:        0.002        0.001      194.1
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1557.672        0.015
+91: Performance:     1575.599        0.015
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_7_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -214646,9 +214544,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.6
+91:        Time:        0.002        0.001      192.8
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1558.460        0.015
+91: Performance:     1774.365        0.014
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_7_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_7_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -214700,9 +214598,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      195.0
+91:        Time:        0.002        0.001      193.8
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1617.803        0.015
+91: Performance:     1707.482        0.014
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_8_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -214720,9 +214618,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.1
+91:        Time:        0.001        0.001      191.9
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1717.478        0.014
+91: Performance:     2018.543        0.012
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_8_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_8_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -214786,9 +214684,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      195.1
+91:        Time:        0.002        0.001      194.6
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1732.938        0.014
+91: Performance:     1580.450        0.015
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_11_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -214806,9 +214704,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.001        0.001      193.0
+91:        Time:        0.001        0.001      192.6
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1890.913        0.013
+91: Performance:     1942.792        0.012
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_11_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_11_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -214874,9 +214772,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      194.6
+91:        Time:        0.002        0.001      194.2
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1639.328        0.015
+91: Performance:     1622.490        0.015
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_12_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -214894,9 +214792,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.001        0.001      192.9
+91:        Time:        0.002        0.001      194.5
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1910.854        0.013
+91: Performance:     1202.771        0.020
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_12_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_12_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -214956,9 +214854,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      195.1
+91:        Time:        0.002        0.001      194.0
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1582.480        0.015
+91: Performance:     1479.489        0.016
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_13_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -214975,15 +214873,18 @@
 91: 
 91: Writing final coordinates.
 91: 
+91: NOTE: 12 % of the run time was spent in pair search,
+91:       you might want to increase nstlist (this has no effect on accuracy)
+91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.1
+91:        Time:        0.048        0.024      199.7
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1821.045        0.013
+91: Performance:       61.651        0.389
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_13_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_13_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/13 (6 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/13 (33 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/14
 91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/14 (0 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/15
@@ -215036,9 +214937,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.003        0.002      196.1
+91:        Time:        0.003        0.001      195.2
 91:                  (ns/day)    (hour/ns)
-91: Performance:      912.951        0.026
+91: Performance:     1134.339        0.021
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_15_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -215056,14 +214957,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.8
+91:        Time:        0.002        0.001      193.6
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1586.555        0.015
+91: Performance:     1512.916        0.016
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_15_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_15_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/15 (7 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/15 (8 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/16
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_16_input.mdp]:
@@ -215110,9 +215011,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      195.3
+91:        Time:        0.072        0.036      199.8
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1441.749        0.017
+91: Performance:       40.777        0.589
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_16_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -215130,14 +215031,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.8
+91:        Time:        0.002        0.001      193.3
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1726.624        0.014
+91: Performance:     1680.009        0.014
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_16_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_16_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/16 (7 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/16 (44 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/17
 91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/17 (0 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/18
@@ -215186,9 +215087,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      195.4
+91:        Time:        0.002        0.001      194.6
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1268.134        0.019
+91: Performance:     1442.424        0.017
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_18_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -215206,9 +215107,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.6
+91:        Time:        0.002        0.001      193.2
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1625.486        0.015
+91: Performance:     1690.149        0.014
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_18_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_18_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -215264,9 +215165,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.003        0.001      195.6
+91:        Time:        0.002        0.001      194.5
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1080.048        0.022
+91: Performance:     1176.359        0.020
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_19_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -215284,9 +215185,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.7
+91:        Time:        0.002        0.001      193.6
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1536.308        0.016
+91: Performance:     1547.110        0.016
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_19_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_19_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -215346,9 +215247,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      192.0
+91:        Time:        0.002        0.001      194.6
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1616.105        0.015
+91: Performance:     1665.025        0.014
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_21_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -215366,14 +215267,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.6
+91:        Time:        0.002        0.001      193.5
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1770.286        0.014
+91: Performance:     1696.199        0.014
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_21_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_21_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/21 (7 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/21 (6 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/22
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_22_input.mdp]:
@@ -215434,9 +215335,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      194.3
+91:        Time:        0.002        0.001      194.5
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1564.794        0.015
+91: Performance:     1612.299        0.015
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_22_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -215454,14 +215355,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.001        0.001      192.9
+91:        Time:        0.002        0.001      192.3
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1903.180        0.013
+91: Performance:     1819.431        0.013
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_22_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_22_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/22 (6 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/22 (7 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/23
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_23_input.mdp]:
@@ -215514,9 +215415,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      194.7
+91:        Time:        0.002        0.001      194.5
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1629.356        0.015
+91: Performance:     1443.776        0.017
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_23_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -215534,9 +215435,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      194.7
+91:        Time:        0.002        0.001      193.6
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1344.521        0.018
+91: Performance:     1567.182        0.015
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_23_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_23_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -215600,9 +215501,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      195.1
+91:        Time:        0.002        0.001      195.0
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1483.765        0.016
+91: Performance:     1380.061        0.017
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_26_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -215620,14 +215521,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.7
+91:        Time:        0.003        0.001      195.7
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1757.157        0.014
+91: Performance:     1001.560        0.024
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_26_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_26_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/26 (6 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/26 (9 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/27
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_27_input.mdp]:
@@ -215690,9 +215591,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      194.9
+91:        Time:        0.002        0.001      194.6
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1402.366        0.017
+91: Performance:     1443.100        0.017
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_27_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -215710,9 +215611,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.7
+91:        Time:        0.002        0.001      194.0
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1680.467        0.014
+91: Performance:     1584.107        0.015
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_27_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_27_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -215772,9 +215673,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      195.4
+91:        Time:        0.002        0.001      194.7
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1265.269        0.019
+91: Performance:     1409.747        0.017
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_28_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -215792,9 +215693,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.9
+91:        Time:        0.002        0.001      193.7
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1610.192        0.015
+91: Performance:     1602.235        0.015
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_28_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_28_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -215863,9 +215764,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      196.3
+91:        Time:        0.002        0.001      195.8
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1260.866        0.019
+91: Performance:     1187.699        0.020
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_31_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Can not increase nstlist because an NVE ensemble is used
 91: Using 1 MPI thread
@@ -215882,14 +215783,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.9
+91:        Time:        0.002        0.001      194.4
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1491.308        0.016
+91: Performance:     1266.049        0.019
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_31_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_31_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/31 (215 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/31 (228 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/32
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_32_input.mdp]:
@@ -215957,9 +215858,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.011        0.005      198.8
+91:        Time:        0.008        0.004      198.2
 91:                  (ns/day)    (hour/ns)
-91: Performance:      271.775        0.088
+91: Performance:      358.904        0.067
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_32_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Can not increase nstlist because an NVE ensemble is used
 91: Using 1 MPI thread
@@ -215976,14 +215877,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      192.3
+91:        Time:        0.002        0.001      193.2
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1578.830        0.015
+91: Performance:     1516.267        0.016
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_32_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_32_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/32 (203 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/32 (222 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/33
 91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/33 (0 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/34
@@ -216045,9 +215946,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.008        0.004      198.1
+91:        Time:        0.006        0.003      197.3
 91:                  (ns/day)    (hour/ns)
-91: Performance:      383.217        0.063
+91: Performance:      503.275        0.048
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_36_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -216065,14 +215966,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      194.0
+91:        Time:        0.002        0.001      193.6
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1490.947        0.016
+91: Performance:     1410.070        0.017
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_36_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_36_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/36 (210 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/36 (227 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/37
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_37_input.mdp]:
@@ -216136,9 +216037,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.009        0.005      198.3
+91:        Time:        0.008        0.004      197.6
 91:                  (ns/day)    (hour/ns)
-91: Performance:      319.301        0.075
+91: Performance:      367.139        0.065
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_37_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -216156,14 +216057,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.1
+91:        Time:        0.002        0.001      193.0
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1509.949        0.016
+91: Performance:     1424.415        0.017
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_37_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_37_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/37 (206 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/37 (228 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/38
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_38_input.mdp]:
@@ -216219,9 +216120,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.009        0.005      198.2
+91:        Time:        0.007        0.004      197.3
 91:                  (ns/day)    (hour/ns)
-91: Performance:      311.866        0.077
+91: Performance:      416.341        0.058
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_38_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -216239,14 +216140,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.2
+91:        Time:        0.002        0.001      192.9
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1453.313        0.017
+91: Performance:     1401.409        0.017
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_38_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_38_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/38 (211 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/38 (233 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/39
 91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/39 (0 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/40
@@ -216314,9 +216215,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.009        0.005      198.2
+91:        Time:        0.007        0.004      197.5
 91:                  (ns/day)    (hour/ns)
-91: Performance:      321.937        0.075
+91: Performance:      393.447        0.061
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_41_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -216334,14 +216235,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.7
+91:        Time:        0.002        0.001      193.3
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1440.738        0.017
+91: Performance:     1452.970        0.017
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_41_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_41_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/41 (210 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/41 (226 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/42
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_42_input.mdp]:
@@ -216411,9 +216312,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.008        0.004      198.2
+91:        Time:        0.007        0.003      197.7
 91:                  (ns/day)    (hour/ns)
-91: Performance:      342.541        0.070
+91: Performance:      421.468        0.057
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_42_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -216431,14 +216332,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.6
+91:        Time:        0.002        0.001      192.8
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1446.149        0.017
+91: Performance:     1571.981        0.015
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_42_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_42_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/42 (209 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/42 (228 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/43
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_43_input.mdp]:
@@ -216502,9 +216403,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.010        0.005      198.3
+91:        Time:        0.008        0.004      198.0
 91:                  (ns/day)    (hour/ns)
-91: Performance:      296.026        0.081
+91: Performance:      342.903        0.070
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_43_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -216522,14 +216423,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.7
+91:        Time:        0.002        0.001      193.0
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1447.168        0.017
+91: Performance:     1379.443        0.017
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_43_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_43_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/43 (209 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/43 (229 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/44
 91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/44 (0 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/45
@@ -216589,9 +216490,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.010        0.005      198.6
+91:        Time:        0.009        0.005      198.2
 91:                  (ns/day)    (hour/ns)
-91: Performance:      291.185        0.082
+91: Performance:      317.327        0.076
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_46_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -216609,14 +216510,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      194.2
+91:        Time:        0.002        0.001      194.0
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1432.030        0.017
+91: Performance:     1319.750        0.018
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_46_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_46_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/46 (211 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/46 (229 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/47
 91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/47 (0 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/48
@@ -216674,9 +216575,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.016        0.008      198.7
+91:        Time:        0.008        0.004      197.7
 91:                  (ns/day)    (hour/ns)
-91: Performance:      179.123        0.134
+91: Performance:      384.508        0.062
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_48_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -216694,14 +216595,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.8
+91:        Time:        0.003        0.001      194.4
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1384.092        0.017
+91: Performance:     1139.795        0.021
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_48_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_48_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/48 (215 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/48 (227 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/49
 91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/49 (0 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/50
@@ -216767,9 +216668,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.011        0.005      197.5
+91:        Time:        0.008        0.004      195.3
 91:                  (ns/day)    (hour/ns)
-91: Performance:      269.882        0.089
+91: Performance:      346.315        0.069
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_51_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -216787,14 +216688,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.004        0.002      192.7
+91:        Time:        0.002        0.001      194.0
 91:                  (ns/day)    (hour/ns)
-91: Performance:      738.857        0.032
+91: Performance:     1222.583        0.020
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_51_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_51_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/51 (219 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/51 (237 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/52
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_52_input.mdp]:
@@ -216864,9 +216765,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.008        0.004      197.2
+91:        Time:        0.008        0.004      197.9
 91:                  (ns/day)    (hour/ns)
-91: Performance:      367.906        0.065
+91: Performance:      377.487        0.064
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_52_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -216884,14 +216785,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.0
+91:        Time:        0.002        0.001      193.1
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1499.293        0.016
+91: Performance:     1497.107        0.016
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_52_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_52_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/52 (265 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/52 (229 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/53
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_53_input.mdp]:
@@ -216953,9 +216854,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.008        0.004      198.0
+91:        Time:        0.009        0.004      198.0
 91:                  (ns/day)    (hour/ns)
-91: Performance:      352.881        0.068
+91: Performance:      333.799        0.072
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_53_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -216973,14 +216874,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      192.9
+91:        Time:        0.002        0.001      193.3
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1501.851        0.016
+91: Performance:     1348.937        0.018
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_53_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_53_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/53 (222 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/53 (230 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/54
 91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/54 (0 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/55
@@ -216993,7 +216894,7 @@
 91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/58 (0 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/59
 91: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/59 (0 ms)
-91: [----------] 60 tests from SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest (2950 ms total)
+91: [----------] 60 tests from SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest (3180 ms total)
 91: 
 91: [----------] 32 tests from SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/0
@@ -217046,9 +216947,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.001        0.001      192.5
+91:        Time:        0.002        0.001      192.3
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1952.026        0.012
+91: Performance:     1845.594        0.013
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_0_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Can not increase nstlist because an NVE ensemble is used
 91: Using 1 MPI thread
@@ -217065,14 +216966,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      196.3
+91:        Time:        0.002        0.001      196.0
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1458.819        0.016
+91: Performance:     1387.521        0.017
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_0_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_0_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/0 (6 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/0 (7 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/1
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_1_input.mdp]:
@@ -217123,9 +217024,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.001        0.001      188.9
+91:        Time:        0.002        0.001      192.6
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1918.590        0.013
+91: Performance:     1885.704        0.013
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_1_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Can not increase nstlist because an NVE ensemble is used
 91: Using 1 MPI thread
@@ -217142,9 +217043,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      196.0
+91:        Time:        0.002        0.001      195.8
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1342.470        0.018
+91: Performance:     1432.030        0.017
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_1_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_1_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -217207,10 +217108,13 @@
 91: 
 91: Writing final coordinates.
 91: 
+91: NOTE: 11 % of the run time was spent in pair search,
+91:       you might want to increase nstlist (this has no effect on accuracy)
+91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      194.0
+91:        Time:        0.002        0.001      192.8
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1403.324        0.017
+91: Performance:     1618.228        0.015
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_2_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Can not increase nstlist because an NVE ensemble is used
 91: Using 1 MPI thread
@@ -217227,9 +217131,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      196.0
+91:        Time:        0.002        0.001      195.9
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1479.134        0.016
+91: Performance:     1370.849        0.018
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_2_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_2_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -217283,9 +217187,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.001        0.001      192.3
+91:        Time:        0.002        0.001      192.1
 91:                  (ns/day)    (hour/ns)
-91: Performance:     2050.114        0.012
+91: Performance:     1858.960        0.013
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_4_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -217303,9 +217207,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.003        0.002      196.7
+91:        Time:        0.002        0.001      194.4
 91:                  (ns/day)    (hour/ns)
-91: Performance:      907.705        0.026
+91: Performance:     1432.696        0.017
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_4_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_4_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -217357,9 +217261,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.001        0.001      192.1
+91:        Time:        0.002        0.001      192.4
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1984.727        0.012
+91: Performance:     1846.701        0.013
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_5_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -217377,9 +217281,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      195.0
+91:        Time:        0.002        0.001      194.4
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1418.185        0.017
+91: Performance:     1473.121        0.016
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_5_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_5_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -217439,9 +217343,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.001        0.001      192.0
+91:        Time:        0.002        0.001      192.0
 91:                  (ns/day)    (hour/ns)
-91: Performance:     2001.492        0.012
+91: Performance:     1861.769        0.013
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_6_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -217459,9 +217363,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      194.9
+91:        Time:        0.002        0.001      194.6
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1461.241        0.016
+91: Performance:     1474.532        0.016
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_6_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_6_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -217513,9 +217417,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      192.5
+91:        Time:        0.001        0.001      191.4
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1836.790        0.013
+91: Performance:     1940.956        0.012
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_7_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -217533,9 +217437,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      195.0
+91:        Time:        0.002        0.001      194.7
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1436.706        0.017
+91: Performance:     1492.030        0.016
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_7_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_7_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -217595,9 +217499,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.003        0.001      191.4
+91:        Time:        0.001        0.001      192.5
 91:                  (ns/day)    (hour/ns)
-91: Performance:      980.206        0.024
+91: Performance:     1904.945        0.013
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_8_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -217615,14 +217519,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.004        0.002      195.2
+91:        Time:        0.002        0.001      194.5
 91:                  (ns/day)    (hour/ns)
-91: Performance:      729.151        0.033
+91: Performance:     1550.615        0.015
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_8_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_8_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/8 (12 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/8 (7 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/9
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_9_input.mdp]:
@@ -217677,9 +217581,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.003        0.002      190.9
+91:        Time:        0.001        0.001      191.9
 91:                  (ns/day)    (hour/ns)
-91: Performance:      951.737        0.025
+91: Performance:     1952.645        0.012
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_9_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -217697,14 +217601,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.004        0.002      195.6
+91:        Time:        0.002        0.001      195.0
 91:                  (ns/day)    (hour/ns)
-91: Performance:      714.686        0.034
+91: Performance:     1362.360        0.018
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_9_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_9_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/9 (17 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/9 (7 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/10
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_10_input.mdp]:
@@ -217765,9 +217669,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      191.2
+91:        Time:        0.001        0.001      192.0
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1138.321        0.021
+91: Performance:     2009.982        0.012
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_10_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -217785,14 +217689,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.004        0.002      196.1
+91:        Time:        0.002        0.001      194.4
 91:                  (ns/day)    (hour/ns)
-91: Performance:      750.377        0.032
+91: Performance:     1504.051        0.016
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_10_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_10_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/10 (14 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/10 (7 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/11
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_11_input.mdp]:
@@ -217847,9 +217751,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      188.4
+91:        Time:        0.002        0.001      192.9
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1226.965        0.020
+91: Performance:     1654.739        0.015
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_11_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -217867,14 +217771,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.003        0.001      195.1
+91:        Time:        0.002        0.001      194.1
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1055.981        0.023
+91: Performance:     1502.217        0.016
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_11_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_11_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/11 (12 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/11 (7 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/12
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_12_input.mdp]:
@@ -217926,9 +217830,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      191.6
+91:        Time:        0.001        0.001      192.2
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1575.197        0.015
+91: Performance:     2043.315        0.012
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_12_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -217946,14 +217850,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      195.1
+91:        Time:        0.002        0.001      194.5
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1203.476        0.020
+91: Performance:     1580.855        0.015
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_12_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_12_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/12 (10 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/12 (6 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/13
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_13_input.mdp]:
@@ -218005,9 +217909,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      191.9
+91:        Time:        0.001        0.001      192.3
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1589.420        0.015
+91: Performance:     2015.242        0.012
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_13_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -218025,14 +217929,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.004        0.002      196.9
+91:        Time:        0.002        0.001      194.3
 91:                  (ns/day)    (hour/ns)
-91: Performance:      737.354        0.033
+91: Performance:     1495.653        0.016
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_13_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_13_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/13 (10 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/13 (7 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/14
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_14_input.mdp]:
@@ -218092,9 +217996,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      192.0
+91:        Time:        0.001        0.001      191.9
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1674.985        0.014
+91: Performance:     1984.088        0.012
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_14_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -218112,14 +218016,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      194.9
+91:        Time:        0.002        0.001      194.7
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1341.885        0.018
+91: Performance:     1410.715        0.017
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_14_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_14_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/14 (8 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/14 (7 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/15
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_15_input.mdp]:
@@ -218171,9 +218075,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      191.1
+91:        Time:        0.001        0.001      192.0
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1832.965        0.013
+91: Performance:     1948.938        0.012
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_15_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 100, rlist from 0.703 to 0.752
 91: 
@@ -218191,14 +218095,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      194.9
+91:        Time:        0.002        0.001      194.4
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1239.057        0.019
+91: Performance:     1483.051        0.016
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_15_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_15_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/15 (8 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/15 (7 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/16
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_16_input.mdp]:
@@ -218257,10 +218161,13 @@
 91: 
 91: Writing final coordinates.
 91: 
+91: NOTE: 11 % of the run time was spent in pair search,
+91:       you might want to increase nstlist (this has no effect on accuracy)
+91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.009        0.005      198.3
+91:        Time:        0.002        0.001      192.6
 91:                  (ns/day)    (hour/ns)
-91: Performance:      309.500        0.078
+91: Performance:     1644.140        0.015
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_16_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Can not increase nstlist because an NVE ensemble is used
 91: Using 1 MPI thread
@@ -218277,14 +218184,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      196.3
+91:        Time:        0.002        0.001      195.6
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1356.361        0.018
+91: Performance:     1348.346        0.018
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_16_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_16_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/16 (225 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/16 (230 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/17
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_17_input.mdp]:
@@ -218344,9 +218251,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.007        0.004      197.6
+91:        Time:        0.009        0.004      197.8
 91:                  (ns/day)    (hour/ns)
-91: Performance:      405.489        0.059
+91: Performance:      337.974        0.071
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_17_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Can not increase nstlist because an NVE ensemble is used
 91: Using 1 MPI thread
@@ -218363,14 +218270,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.4
+91:        Time:        0.002        0.001      195.2
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1272.324        0.019
+91: Performance:     1303.553        0.018
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_17_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_17_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/17 (214 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/17 (227 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/18
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_18_input.mdp]:
@@ -218438,9 +218345,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.009        0.005      197.5
+91:        Time:        0.006        0.003      197.2
 91:                  (ns/day)    (hour/ns)
-91: Performance:      308.508        0.078
+91: Performance:      464.950        0.052
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_18_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Can not increase nstlist because an NVE ensemble is used
 91: Using 1 MPI thread
@@ -218457,14 +218364,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      195.9
+91:        Time:        0.002        0.001      195.6
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1330.294        0.018
+91: Performance:     1254.959        0.019
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_18_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_18_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/18 (211 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/18 (228 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/19
 91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/19 (0 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/20
@@ -218521,10 +218428,13 @@
 91: 
 91: Writing final coordinates.
 91: 
+91: NOTE: 30 % of the run time was spent in pair search,
+91:       you might want to increase nstlist (this has no effect on accuracy)
+91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.008        0.004      197.8
+91:        Time:        0.019        0.010      199.0
 91:                  (ns/day)    (hour/ns)
-91: Performance:      382.337        0.063
+91: Performance:      152.717        0.157
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_20_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -218542,14 +218452,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      194.9
+91:        Time:        0.002        0.001      194.5
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1300.801        0.018
+91: Performance:     1275.221        0.019
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_20_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_20_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/20 (216 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/20 (236 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/21
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_21_input.mdp]:
@@ -218605,9 +218515,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.007        0.003      197.5
+91:        Time:        0.007        0.003      197.4
 91:                  (ns/day)    (hour/ns)
-91: Performance:      435.593        0.055
+91: Performance:      434.028        0.055
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_21_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -218625,14 +218535,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      194.9
+91:        Time:        0.002        0.001      194.3
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1271.274        0.019
+91: Performance:     1252.917        0.019
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_21_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_21_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/21 (217 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/21 (229 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/22
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_22_input.mdp]:
@@ -218696,9 +218606,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.004        0.002      196.4
+91:        Time:        0.008        0.004      197.7
 91:                  (ns/day)    (hour/ns)
-91: Performance:      778.147        0.031
+91: Performance:      365.744        0.066
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_22_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -218716,14 +218626,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      195.0
+91:        Time:        0.002        0.001      194.1
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1330.869        0.018
+91: Performance:     1263.712        0.019
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_22_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_22_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/22 (209 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/22 (233 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/23
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_23_input.mdp]:
@@ -218779,9 +218689,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.004        0.002      196.5
+91:        Time:        0.006        0.003      197.2
 91:                  (ns/day)    (hour/ns)
-91: Performance:      656.430        0.037
+91: Performance:      480.883        0.050
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_23_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -218799,14 +218709,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      195.4
+91:        Time:        0.002        0.001      194.3
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1288.558        0.019
+91: Performance:     1261.641        0.019
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_23_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_23_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/23 (208 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/23 (227 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/24
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_24_input.mdp]:
@@ -218870,9 +218780,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.005        0.003      197.1
+91:        Time:        0.008        0.004      197.5
 91:                  (ns/day)    (hour/ns)
-91: Performance:      574.682        0.042
+91: Performance:      386.462        0.062
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_24_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -218890,14 +218800,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      194.9
+91:        Time:        0.002        0.001      194.7
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1348.051        0.018
+91: Performance:     1318.056        0.018
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_24_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_24_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/24 (206 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/24 (232 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/25
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_25_input.mdp]:
@@ -218961,9 +218871,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.006        0.003      196.6
+91:        Time:        0.006        0.003      196.5
 91:                  (ns/day)    (hour/ns)
-91: Performance:      484.438        0.050
+91: Performance:      500.089        0.048
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_25_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -218981,14 +218891,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      194.4
+91:        Time:        0.002        0.001      193.7
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1292.884        0.019
+91: Performance:     1258.291        0.019
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_25_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_25_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/25 (222 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/25 (236 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/26
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_26_input.mdp]:
@@ -219058,9 +218968,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.009        0.005      198.0
+91:        Time:        0.002        0.001      192.3
 91:                  (ns/day)    (hour/ns)
-91: Performance:      316.691        0.076
+91: Performance:     1640.637        0.015
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_26_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -219078,14 +218988,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      194.5
+91:        Time:        0.002        0.001      194.9
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1253.427        0.019
+91: Performance:     1265.269        0.019
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_26_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_26_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/26 (222 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/26 (229 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/27
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_27_input.mdp]:
@@ -219149,9 +219059,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.009        0.004      197.9
+91:        Time:        0.008        0.004      197.5
 91:                  (ns/day)    (hour/ns)
-91: Performance:      337.548        0.071
+91: Performance:      383.814        0.063
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_27_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -219169,14 +219079,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      195.1
+91:        Time:        0.002        0.001      194.2
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1149.579        0.021
+91: Performance:     1295.603        0.019
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_27_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_27_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/27 (223 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/27 (219 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/28
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_28_input.mdp]:
@@ -219236,13 +219146,10 @@
 91: 
 91: Writing final coordinates.
 91: 
-91: NOTE: 20 % of the run time was spent in pair search,
-91:       you might want to increase nstlist (this has no effect on accuracy)
-91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.029        0.015      198.8
+91:        Time:        0.007        0.004      197.6
 91:                  (ns/day)    (hour/ns)
-91: Performance:      100.746        0.238
+91: Performance:      413.075        0.058
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_28_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -219260,14 +219167,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.005        0.003      195.6
+91:        Time:        0.002        0.001      194.4
 91:                  (ns/day)    (hour/ns)
-91: Performance:      586.779        0.041
+91: Performance:     1319.467        0.018
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_28_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_28_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/28 (242 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/28 (224 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/29
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_29_input.mdp]:
@@ -219328,9 +219235,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.012        0.006      198.4
+91:        Time:        0.008        0.004      197.8
 91:                  (ns/day)    (hour/ns)
-91: Performance:      234.172        0.102
+91: Performance:      342.579        0.070
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_29_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -219348,14 +219255,14 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      194.4
+91:        Time:        0.003        0.001      195.2
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1358.755        0.018
+91: Performance:     1024.205        0.023
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_29_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_29_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/29 (265 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/29 (232 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/30
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_30_input.mdp]:
@@ -219424,9 +219331,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      191.7
+91:        Time:        0.007        0.004      197.4
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1852.810        0.013
+91: Performance:      403.418        0.059
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_30_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -219446,12 +219353,12 @@
 91:                Core t (s)   Wall t (s)        (%)
 91:        Time:        0.002        0.001      194.4
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1408.136        0.017
+91: Performance:     1273.903        0.019
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_30_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_30_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/30 (222 ms)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/30 (229 ms)
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/31
 91: 
 91: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_31_input.mdp]:
@@ -219511,13 +219418,10 @@
 91: 
 91: Writing final coordinates.
 91: 
-91: NOTE: 12 % of the run time was spent in pair search,
-91:       you might want to increase nstlist (this has no effect on accuracy)
-91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.049        0.025      199.6
+91:        Time:        0.008        0.004      197.5
 91:                  (ns/day)    (hour/ns)
-91: Performance:       59.420        0.404
+91: Performance:      386.026        0.062
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_31_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Changing nstlist from 8 to 20, rlist from 0.764 to 0.88
 91: 
@@ -219535,15 +219439,15 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      195.2
+91:        Time:        0.002        0.001      194.2
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1194.145        0.020
+91: Performance:     1229.659        0.020
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_31_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_31_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/31 (241 ms)
-91: [----------] 32 tests from SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest (3499 ms total)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/31 (238 ms)
+91: [----------] 32 tests from SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest (3567 ms total)
 91: 
 91: [----------] 1 test from SimulatorsAreEquivalentDefaultModularPull/SimulatorComparisonTest
 91: [ RUN      ] SimulatorsAreEquivalentDefaultModularPull/SimulatorComparisonTest.WithinTolerances/0
@@ -219605,9 +219509,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      194.9
+91:        Time:        0.002        0.001      194.8
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1343.934        0.018
+91: Performance:     1231.872        0.019
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModularPull_SimulatorComparisonTest_WithinTolerances_0_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Can not increase nstlist because an NVE ensemble is used
 91: Using 1 MPI thread
@@ -219624,15 +219528,15 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      193.3
+91:        Time:        0.002        0.001      191.8
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1345.695        0.018
+91: Performance:     1556.492        0.015
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModularPull_SimulatorComparisonTest_WithinTolerances_0_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModularPull_SimulatorComparisonTest_WithinTolerances_0_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultModularPull/SimulatorComparisonTest.WithinTolerances/0 (9 ms)
-91: [----------] 1 test from SimulatorsAreEquivalentDefaultModularPull/SimulatorComparisonTest (9 ms total)
+91: [       OK ] SimulatorsAreEquivalentDefaultModularPull/SimulatorComparisonTest.WithinTolerances/0 (8 ms)
+91: [----------] 1 test from SimulatorsAreEquivalentDefaultModularPull/SimulatorComparisonTest (8 ms total)
 91: 
 91: [----------] 1 test from SimulatorsAreEquivalentDefaultLegacyPull/SimulatorComparisonTest
 91: [ RUN      ] SimulatorsAreEquivalentDefaultLegacyPull/SimulatorComparisonTest.WithinTolerances/0
@@ -219694,9 +219598,9 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.002        0.001      191.5
+91:        Time:        0.002        0.001      191.9
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1581.667        0.015
+91: Performance:     1616.529        0.015
 91: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacyPull_SimulatorComparisonTest_WithinTolerances_0_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 91: Can not increase nstlist because an NVE ensemble is used
 91: Using 1 MPI thread
@@ -219713,20 +219617,20 @@
 91: Writing final coordinates.
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.003        0.001      195.6
+91:        Time:        0.002        0.001      194.5
 91:                  (ns/day)    (hour/ns)
-91: Performance:     1089.985        0.022
+91: Performance:     1462.282        0.016
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacyPull_SimulatorComparisonTest_WithinTolerances_0_sim1.edr as double precision energy file
 91: Opened /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacyPull_SimulatorComparisonTest_WithinTolerances_0_sim2.edr as double precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 91: 
-91: [       OK ] SimulatorsAreEquivalentDefaultLegacyPull/SimulatorComparisonTest.WithinTolerances/0 (11 ms)
-91: [----------] 1 test from SimulatorsAreEquivalentDefaultLegacyPull/SimulatorComparisonTest (11 ms total)
+91: [       OK ] SimulatorsAreEquivalentDefaultLegacyPull/SimulatorComparisonTest.WithinTolerances/0 (7 ms)
+91: [----------] 1 test from SimulatorsAreEquivalentDefaultLegacyPull/SimulatorComparisonTest (7 ms total)
 91: 
 91: [----------] Global test environment tear-down
-91: [==========] 94 tests from 4 test suites ran. (6500 ms total)
+91: [==========] 94 tests from 4 test suites ran. (6790 ms total)
 91: [  PASSED  ] 94 tests.
-91/92 Test #91: MdrunSimulatorComparison ..................   Passed    6.52 sec
+91/92 Test #91: MdrunSimulatorComparison ..................   Passed    6.81 sec
 test 92
       Start 92: MdrunVirtualSiteTests
 
@@ -219796,24 +219700,24 @@
 92: 
 92: Dynamic load balancing report:
 92:  DLB was off during the run due to low measured imbalance.
-92:  Average load imbalance: 1.9%.
-92:  The balanceable part of the MD step is 40%, load imbalance is computed from this.
-92:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+92:  Average load imbalance: 1.0%.
+92:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
+92:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 92: 
 92: 
-92: NOTE: 39 % of the run time was spent communicating energies,
+92: NOTE: 37 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.004        0.002      195.4
+92:        Time:        0.006        0.003      194.6
 92:                  (ns/day)    (hour/ns)
-92: Performance:      408.990        0.059
+92: Performance:      256.185        0.094
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: trr version: GMX_trn_file (double precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/0 (10 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/0 (16 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/1
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_1_input.mdp]:
@@ -219868,23 +219772,23 @@
 92: 
 92: Dynamic load balancing report:
 92:  DLB was off during the run due to low measured imbalance.
-92:  Average load imbalance: 2.1%.
-92:  The balanceable part of the MD step is 40%, load imbalance is computed from this.
-92:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+92:  Average load imbalance: 0.1%.
+92:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+92:  Part of the total run time spent waiting due to load imbalance: 0.0%.
 92: 
 92: 
-92: NOTE: 34 % of the run time was spent communicating energies,
+92: NOTE: 33 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.003        0.001      192.8
+92:        Time:        0.004        0.002      192.3
 92:                  (ns/day)    (hour/ns)
-92: Performance:      591.225        0.041
+92: Performance:      350.755        0.068
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/1 (8 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/1 (13 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/2
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_2_input.mdp]:
@@ -219940,27 +219844,23 @@
 92: 
 92: Dynamic load balancing report:
 92:  DLB was off during the run due to low measured imbalance.
-92:  Average load imbalance: 0.0%.
-92:  The balanceable part of the MD step is 40%, load imbalance is computed from this.
-92:  Part of the total run time spent waiting due to load imbalance: 0.0%.
-92: 
+92:  Average load imbalance: 0.9%.
+92:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+92:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 92: 
-92: NOTE: 18 % of the run time was spent in domain decomposition,
-92:       3 % of the run time was spent in pair search,
-92:       you might want to increase nstlist (this has no effect on accuracy)
 92: 
-92: NOTE: 25 % of the run time was spent communicating energies,
+92: NOTE: 30 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      192.2
+92:        Time:        0.004        0.002      191.6
 92:                  (ns/day)    (hour/ns)
-92: Performance:      720.692        0.033
+92: Performance:      421.572        0.057
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/2 (6 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/2 (11 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/3
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_3_input.mdp]:
@@ -220022,18 +219922,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 23 % of the run time was spent communicating energies,
+92: NOTE: 26 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      193.5
+92:        Time:        0.002        0.001      190.5
 92:                  (ns/day)    (hour/ns)
-92: Performance:      609.909        0.039
+92: Performance:      636.451        0.038
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/3 (12 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/3 (21 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/4
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_4_input.mdp]:
@@ -220095,22 +219995,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 23 % of the run time was spent in domain decomposition,
-92:       1 % of the run time was spent in pair search,
-92:       you might want to increase nstlist (this has no effect on accuracy)
-92: 
-92: NOTE: 17 % of the run time was spent communicating energies,
+92: NOTE: 25 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.003        0.002      194.8
+92:        Time:        0.002        0.001      189.1
 92:                  (ns/day)    (hour/ns)
-92: Performance:      448.870        0.053
+92: Performance:      660.288        0.036
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/4 (14 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/4 (19 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/5
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_5_input.mdp]:
@@ -220172,18 +220068,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 32 % of the run time was spent communicating energies,
+92: NOTE: 23 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      191.1
+92:        Time:        0.002        0.001      190.8
 92:                  (ns/day)    (hour/ns)
-92: Performance:      753.318        0.032
+92: Performance:      623.135        0.039
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/5 (12 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/5 (19 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/6
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_6_input.mdp]:
@@ -220250,18 +220146,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 26 % of the run time was spent communicating energies,
+92: NOTE: 24 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      192.2
+92:        Time:        0.002        0.001      191.2
 92:                  (ns/day)    (hour/ns)
-92: Performance:      695.266        0.035
+92: Performance:      732.590        0.033
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/6 (13 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/6 (18 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/7
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_7_input.mdp]:
@@ -220328,18 +220224,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 24 % of the run time was spent communicating energies,
+92: NOTE: 23 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      190.7
+92:        Time:        0.002        0.001      190.3
 92:                  (ns/day)    (hour/ns)
-92: Performance:      749.768        0.032
+92: Performance:      788.848        0.030
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/7 (13 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/7 (17 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/8
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_8_input.mdp]:
@@ -220406,18 +220302,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 26 % of the run time was spent communicating energies,
+92: NOTE: 24 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      191.3
+92:        Time:        0.002        0.001      183.9
 92:                  (ns/day)    (hour/ns)
-92: Performance:      763.100        0.031
+92: Performance:      709.174        0.034
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/8 (16 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/8 (18 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/9
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_9_input.mdp]:
@@ -220473,23 +220369,33 @@
 92: 
 92: Dynamic load balancing report:
 92:  DLB was off during the run due to low measured imbalance.
-92:  Average load imbalance: 8.6%.
+92:  Average load imbalance: 12.3%.
 92:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
-92:  Part of the total run time spent waiting due to load imbalance: 3.7%.
+92:  Part of the total run time spent waiting due to load imbalance: 5.3%.
+92: 
+92: NOTE: 5.3 % of the available CPU time was lost due to load imbalance
+92:       in the domain decomposition.
+92:       Dynamic load balancing was automatically disabled, but it might be beneficial to manually turn it on (option -dlb yes.)
+92:       You can also consider manually changing the decomposition (option -dd);
+92:       e.g. by using fewer domains along the box dimension in which there is
+92:       considerable inhomogeneity in the simulated system.
 92: 
+92: NOTE: 12 % of the run time was spent in domain decomposition,
+92:       4 % of the run time was spent in pair search,
+92:       you might want to increase nstlist (this has no effect on accuracy)
 92: 
-92: NOTE: 25 % of the run time was spent communicating energies,
+92: NOTE: 21 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      192.1
+92:        Time:        0.002        0.001      192.8
 92:                  (ns/day)    (hour/ns)
-92: Performance:      698.093        0.034
+92: Performance:      706.409        0.034
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/9 (7 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/9 (6 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/10
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_10_input.mdp]:
@@ -220544,24 +220450,22 @@
 92: 
 92: Dynamic load balancing report:
 92:  DLB was off during the run due to low measured imbalance.
-92:  Average load imbalance: 15.1%.
+92:  Average load imbalance: 10.6%.
 92:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
-92:  Part of the total run time spent waiting due to load imbalance: 6.7%.
+92:  Part of the total run time spent waiting due to load imbalance: 4.7%.
 92: 
-92: NOTE: 6.7 % of the available CPU time was lost due to load imbalance
-92:       in the domain decomposition.
-92:       Dynamic load balancing was automatically disabled, but it might be beneficial to manually turn it on (option -dlb yes.)
-92:       You can also consider manually changing the decomposition (option -dd);
-92:       e.g. by using fewer domains along the box dimension in which there is
-92:       considerable inhomogeneity in the simulated system.
 92: 
-92: NOTE: 26 % of the run time was spent communicating energies,
+92: NOTE: 12 % of the run time was spent in domain decomposition,
+92:       4 % of the run time was spent in pair search,
+92:       you might want to increase nstlist (this has no effect on accuracy)
+92: 
+92: NOTE: 22 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      192.2
+92:        Time:        0.002        0.001      192.5
 92:                  (ns/day)    (hour/ns)
-92: Performance:      630.362        0.038
+92: Performance:      641.205        0.037
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: 
@@ -220630,18 +220534,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 29 % of the run time was spent communicating energies,
+92: NOTE: 23 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      191.1
+92:        Time:        0.002        0.001      192.1
 92:                  (ns/day)    (hour/ns)
-92: Performance:      788.752        0.030
+92: Performance:      744.633        0.032
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/12 (10 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/12 (17 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/13
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_13_input.mdp]:
@@ -220703,18 +220607,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 30 % of the run time was spent communicating energies,
+92: NOTE: 25 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      190.6
+92:        Time:        0.002        0.001      192.0
 92:                  (ns/day)    (hour/ns)
-92: Performance:      732.097        0.033
+92: Performance:      703.362        0.034
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_13.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_13.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/13 (11 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/13 (17 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/14
 92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/14 (0 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/15
@@ -220778,18 +220682,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 28 % of the run time was spent communicating energies,
+92: NOTE: 29 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      189.9
+92:        Time:        0.002        0.001      193.0
 92:                  (ns/day)    (hour/ns)
-92: Performance:      917.567        0.026
+92: Performance:      622.600        0.039
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_15.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_15.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/15 (10 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/15 (17 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/16
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_16_input.mdp]:
@@ -220851,18 +220755,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 29 % of the run time was spent communicating energies,
+92: NOTE: 22 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      190.8
+92:        Time:        0.002        0.001      192.3
 92:                  (ns/day)    (hour/ns)
-92: Performance:      711.572        0.034
+92: Performance:      677.501        0.035
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_16.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_16.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/16 (11 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/16 (17 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/17
 92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/17 (0 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/18
@@ -220926,22 +220830,22 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 3 % of the run time was spent in domain decomposition,
-92:       10 % of the run time was spent in pair search,
+92: NOTE: 24 % of the run time was spent in domain decomposition,
+92:       3 % of the run time was spent in pair search,
 92:       you might want to increase nstlist (this has no effect on accuracy)
 92: 
-92: NOTE: 25 % of the run time was spent communicating energies,
+92: NOTE: 18 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      191.8
+92:        Time:        0.002        0.001      193.9
 92:                  (ns/day)    (hour/ns)
-92: Performance:      892.948        0.027
+92: Performance:      641.016        0.037
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_18.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_18.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/18 (9 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/18 (17 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/19
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_19_input.mdp]:
@@ -221007,9 +220911,9 @@
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      191.8
+92:        Time:        0.001        0.001      189.7
 92:                  (ns/day)    (hour/ns)
-92: Performance:      814.965        0.029
+92: Performance:      992.541        0.024
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_19.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_19.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: 
@@ -221076,18 +220980,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 37 % of the run time was spent communicating energies,
+92: NOTE: 21 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      192.0
+92:        Time:        0.002        0.001      192.5
 92:                  (ns/day)    (hour/ns)
-92: Performance:      794.130        0.030
+92: Performance:      734.322        0.033
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_20.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_20.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/20 (12 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/20 (17 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/21
 92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/21 (0 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/22
@@ -221159,18 +221063,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 42 % of the run time was spent communicating energies,
+92: NOTE: 16 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      193.0
+92:        Time:        0.003        0.001      194.7
 92:                  (ns/day)    (hour/ns)
-92: Performance:      679.902        0.035
+92: Performance:      529.248        0.045
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_27.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_27.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/27 (17 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/27 (27 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/28
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_28_input.mdp]:
@@ -221230,18 +221134,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 28 % of the run time was spent communicating energies,
+92: NOTE: 17 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      190.9
+92:        Time:        0.003        0.001      193.8
 92:                  (ns/day)    (hour/ns)
-92: Performance:      817.211        0.029
+92: Performance:      568.997        0.042
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_28.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_28.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/28 (17 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/28 (28 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/29
 92: 
 92: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_29_input.mdp]:
@@ -221301,18 +221205,18 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 27 % of the run time was spent communicating energies,
+92: NOTE: 22 % of the run time was spent communicating energies,
 92:       you might want to increase some nst* mdp options
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      189.8
+92:        Time:        0.002        0.001      192.1
 92:                  (ns/day)    (hour/ns)
-92: Performance:      940.860        0.026
+92: Performance:      714.847        0.034
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_29.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: Reading file /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_29.tpr, VERSION 2025.2-Debian_2025.2_1 (double precision)
 92: 
 92: Reading virtual site types...
-92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/29 (14 ms)
+92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/29 (27 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/30
 92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/30 (0 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/31
@@ -221325,25 +221229,25 @@
 92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/34 (0 ms)
 92: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/35
 92: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/35 (0 ms)
-92: [----------] 36 tests from VelocitiesConformToExpectations/VirtualSiteTest (251 ms total)
+92: [----------] 36 tests from VelocitiesConformToExpectations/VirtualSiteTest (369 ms total)
 92: 
 92: [----------] Global test environment tear-down
-92: [==========] 37 tests from 2 test suites ran. (259 ms total)
+92: [==========] 37 tests from 2 test suites ran. (384 ms total)
 92: [  PASSED  ] 37 tests.
-92/92 Test #92: MdrunVirtualSiteTests .....................   Passed    0.28 sec
+92/92 Test #92: MdrunVirtualSiteTests .....................   Passed    0.41 sec
 
 100% tests passed, 0 tests failed out of 92
 
 Label Time Summary:
-GTest              = 813.33 sec*proc (90 tests)
-IntegrationTest    = 193.13 sec*proc (29 tests)
-MpiTest            = 687.27 sec*proc (21 tests)
-QuickGpuTest       =  50.97 sec*proc (23 tests)
-SlowGpuTest        = 719.08 sec*proc (14 tests)
-SlowTest           = 607.21 sec*proc (14 tests)
-UnitTest           =  12.99 sec*proc (47 tests)
+GTest              = 163.09 sec*proc (90 tests)
+IntegrationTest    =  73.71 sec*proc (29 tests)
+MpiTest            = 112.89 sec*proc (21 tests)
+QuickGpuTest       =  15.82 sec*proc (23 tests)
+SlowGpuTest        = 131.75 sec*proc (14 tests)
+SlowTest           =  85.93 sec*proc (14 tests)
+UnitTest           =   3.44 sec*proc (47 tests)
 
-Total Test time (real) = 656.60 sec
+Total Test time (real) =  91.63 sec
 touch build-basic
 dh_testdir
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-make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/selection /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/selection /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/CMakeFiles/release-version-info.dir/DependInfo.cmake "--color="
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+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/options /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options/CMakeFiles/options.dir/DependInfo.cmake "--color="
+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/bwlzh.c
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/linearalgebra && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-stringop-truncation -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -MF CMakeFiles/linearalgebra.dir/eigensolver.cpp.o.d -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/eigensolver.cpp
+/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build
+/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build
+/usr/bin/make  -f src/gromacs/CMakeFiles/colvars_objlib.dir/build.make src/gromacs/CMakeFiles/colvars_objlib.dir/build
+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2025.2-Debian_2025.2_1 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2025.2 -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2025.2/build/mpi/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2025.2/build/mpi/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2025.2-1 -P /build/reproducible-path/gromacs-2025.2/cmake/gmxGenerateVersionInfoWithoutGit.cmake
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -MF CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o.d -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/lmfit/lmmin.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/errhandler.cpp
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+/usr/bin/make  -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/selection && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/selection/CMakeFiles/scanner.dir/parser.cpp.o -MF CMakeFiles/scanner.dir/parser.cpp.o.d -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/selection/parser.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/errhandler.cpp
+/usr/bin/make  -f src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/build.make src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -MF CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o.d -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/lmfit/lmmin.cpp
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-cd /build/reproducible-path/gromacs-2025.2 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2025.2-Debian_2025.2_1 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2025.2 -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2025.2/build/mpi/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2025.2/build/mpi/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2025.2-1 -P /build/reproducible-path/gromacs-2025.2/cmake/gmxGenerateVersionInfoWithoutGit.cmake
-/usr/bin/make  -f src/programs/CMakeFiles/gmx_objlib.dir/build.make src/programs/CMakeFiles/gmx_objlib.dir/build
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/selection && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/selection/CMakeFiles/scanner.dir/parser.cpp.o -MF CMakeFiles/scanner.dir/parser.cpp.o.d -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/selection/parser.cpp
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/external/rpc_xdr && /usr/bin/mpicxx -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -MD -MT src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/xdr.cpp.o -MF CMakeFiles/internal_rpc_xdr.dir/xdr.cpp.o.d -o CMakeFiles/internal_rpc_xdr.dir/xdr.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/rpc_xdr/xdr.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvar.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -MF CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o.d -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/mdrun.cpp
-make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/programs/CMakeFiles/gmx_objlib.dir/gmx.cpp.o -MF CMakeFiles/gmx_objlib.dir/gmx.cpp.o.d -o CMakeFiles/gmx_objlib.dir/gmx.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/gmx.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/linearalgebra && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-stringop-truncation -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -MF CMakeFiles/linearalgebra.dir/eigensolver.cpp.o.d -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/eigensolver.cpp
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+/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build
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 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-/usr/bin/make  -f src/gromacs/options/CMakeFiles/options.dir/build.make src/gromacs/options/CMakeFiles/options.dir/build
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build
+/usr/bin/make  -f src/programs/CMakeFiles/gmx_objlib.dir/build.make src/programs/CMakeFiles/gmx_objlib.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/abstractoption.cpp.o -MF CMakeFiles/options.dir/abstractoption.cpp.o.d -o CMakeFiles/options.dir/abstractoption.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/abstractoption.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -MF CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o.d -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/mdrun.cpp
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvar.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/programs/CMakeFiles/gmx_objlib.dir/gmx.cpp.o -MF CMakeFiles/gmx_objlib.dir/gmx.cpp.o.d -o CMakeFiles/gmx_objlib.dir/gmx.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/gmx.cpp
+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/bwlzh.c
 [  0%] Built target release-version-info
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -MF CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o.d -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/nonbonded_bench.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/tmpi_malloc.cpp
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 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/coder.c
 [  0%] Built target internal_rpc_xdr
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/programs/CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o -MF CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o.d -o CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/legacymodules.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/basicoptions.cpp.o -MF CMakeFiles/options.dir/basicoptions.cpp.o.d -o CMakeFiles/options.dir/basicoptions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/basicoptions.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/linearalgebra && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-stringop-truncation -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -MF CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o.d -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/gmx_arpack.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/bwt.c
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 [  2%] Built target thread_mpi
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar_neuralnetworkcompute.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar_neuralnetworkcompute.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar_neuralnetworkcompute.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvar_neuralnetworkcompute.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/selection && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/selection/CMakeFiles/scanner.dir/scanner.cpp.o -MF CMakeFiles/scanner.dir/scanner.cpp.o.d -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/selection/scanner.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/coder.c
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[  2%] Built target energyanalysis
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/abstractsection.cpp.o -MF CMakeFiles/options.dir/abstractsection.cpp.o.d -o CMakeFiles/options.dir/abstractsection.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/abstractsection.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/basicoptions.cpp.o -MF CMakeFiles/options.dir/basicoptions.cpp.o.d -o CMakeFiles/options.dir/basicoptions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/basicoptions.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/dict.c
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[  2%] Built target mdrun_objlib
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar_neuralnetworkcompute.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar_neuralnetworkcompute.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar_neuralnetworkcompute.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvar_neuralnetworkcompute.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/linearalgebra && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-stringop-truncation -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/matrix.cpp.o -MF CMakeFiles/linearalgebra.dir/matrix.cpp.o.d -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/matrix.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/linearalgebra && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-stringop-truncation -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -MF CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o.d -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/sparsematrix.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/fixpoint.c
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/programs/CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o -MF CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o.d -o CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/legacymodules.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/huffman.c
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 [  2%] Built target lmfit_objlib
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -MF CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o.d -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/nonbonded_bench.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/behaviorcollection.cpp.o -MF CMakeFiles/options.dir/behaviorcollection.cpp.o.d -o CMakeFiles/options.dir/behaviorcollection.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/behaviorcollection.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/huffman.c
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/filenameoption.cpp.o -MF CMakeFiles/options.dir/filenameoption.cpp.o.d -o CMakeFiles/options.dir/filenameoption.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/filenameoption.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[  2%] Built target energyanalysis
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvaratoms.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/huffmem.c
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/lz77.c
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/lz77.c
 [  4%] Built target gmx_objlib
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvaratoms.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/filenameoptionmanager.cpp.o -MF CMakeFiles/options.dir/filenameoptionmanager.cpp.o.d -o CMakeFiles/options.dir/filenameoptionmanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/filenameoptionmanager.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/linearalgebra && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-stringop-truncation -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -MF CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o.d -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/sparsematrix.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/selection && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/selection/CMakeFiles/scanner.dir/scanner.cpp.o -MF CMakeFiles/scanner.dir/scanner.cpp.o.d -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/selection/scanner.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/merge_sort.c
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abf.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abf.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abf.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_abf.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abmd.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abmd.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abmd.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_abmd.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/rle.c
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_meta.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_meta.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_meta.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_meta.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[  4%] Built target scanner
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 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abmd.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abmd.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abmd.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_abmd.cpp
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 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pulling/CMakeFiles/pulling.dir/DependInfo.cmake "--color="
@@ -221507,36 +221411,51 @@
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 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pulling && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/output.cpp.o -MF CMakeFiles/pulling.dir/output.cpp.o.d -o CMakeFiles/pulling.dir/output.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/output.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[  4%] Built target scanner
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_alb.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_alb.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_alb.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_alb.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/optionsassigner.cpp.o -MF CMakeFiles/options.dir/optionsassigner.cpp.o.d -o CMakeFiles/options.dir/optionsassigner.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/optionsassigner.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pulling && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/pull_rotation.cpp.o -MF CMakeFiles/pulling.dir/pull_rotation.cpp.o.d -o CMakeFiles/pulling.dir/pull_rotation.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/pull_rotation.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/optionsection.cpp.o -MF CMakeFiles/options.dir/optionsection.cpp.o.d -o CMakeFiles/options.dir/optionsection.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/optionsection.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/optionsvisitor.cpp.o -MF CMakeFiles/options.dir/optionsvisitor.cpp.o.d -o CMakeFiles/options.dir/optionsvisitor.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/optionsvisitor.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/timeunitmanager.cpp.o -MF CMakeFiles/options.dir/timeunitmanager.cpp.o.d -o CMakeFiles/options.dir/timeunitmanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/timeunitmanager.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pulling && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/pullcoordexpressionparser.cpp.o -MF CMakeFiles/pulling.dir/pullcoordexpressionparser.cpp.o.d -o CMakeFiles/pulling.dir/pullcoordexpressionparser.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/pullcoordexpressionparser.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/treesupport.cpp.o -MF CMakeFiles/options.dir/treesupport.cpp.o.d -o CMakeFiles/options.dir/treesupport.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/treesupport.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pulling && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/pullutil.cpp.o -MF CMakeFiles/pulling.dir/pullutil.cpp.o.d -o CMakeFiles/pulling.dir/pullutil.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/pullutil.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[  6%] Built target options
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pulling && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/transformationcoordinate.cpp.o -MF CMakeFiles/pulling.dir/transformationcoordinate.cpp.o.d -o CMakeFiles/pulling.dir/transformationcoordinate.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/transformationcoordinate.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp.cpp
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 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[  8%] Built target tng_io_obj
+[  6%] Built target tng_io_obj
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_distances.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_distances.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_distances.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_distances.cpp
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+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[  8%] Built target options
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarscript_commands_colvar.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarscript_commands_colvar.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarscript_commands_colvar.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarscript_commands_colvar.cpp
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+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 13%] Built target colvars_objlib
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/nr_jacobi.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/nr_jacobi.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/nr_jacobi.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/nr_jacobi.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/modularsimulator && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o -MF CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o.d -o CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/statepropagatordata.cpp
@@ -221605,8 +221511,6 @@
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/modularsimulator && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o -MF CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o.d -o CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/trajectoryelement.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/modularsimulator && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/velocityscalingtemperaturecoupling.cpp.o -MF CMakeFiles/modularsimulator.dir/velocityscalingtemperaturecoupling.cpp.o.d -o CMakeFiles/modularsimulator.dir/velocityscalingtemperaturecoupling.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/velocityscalingtemperaturecoupling.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 13%] Built target colvars_objlib
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 [ 15%] Built target modularsimulator
 /usr/bin/make  -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
@@ -222360,12 +222264,12 @@
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/multisim.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/printtime.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/threadaffinity.cpp
 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrun/tpi.cpp: In member function 'std::pair<double, double> gmx::TestParticleInsertion::performSingleInsertion(double, int64_t, bool, const gmx::RVec&, t_state*, gmx::MdrunScheduleWorkload*, gmx_wallcycle*, t_nrnb*)':
 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrun/tpi.cpp:494:85: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
   494 |                                                                         t_nrnb* nrnb)
       |                                                                                     ^
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/printtime.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/threadaffinity.cpp
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@@ -222439,49 +222343,49 @@
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+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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-make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -Dgmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/CMakeFiles/gmxapi.dir/cpp/resourceassignment.cpp.o -MF CMakeFiles/gmxapi.dir/cpp/resourceassignment.cpp.o.d -o CMakeFiles/gmxapi.dir/cpp/resourceassignment.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/resourceassignment.cpp
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+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 97%] Built target gmx
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-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 97%] Built target gmx
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DTMPI_USE_VISIBILITY -Dnblib_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -Wno-cast-function-type-strict -MD -MT api/nblib/CMakeFiles/nblib.dir/listed_forces/transformations.cpp.o -MF CMakeFiles/nblib.dir/listed_forces/transformations.cpp.o.d -o CMakeFiles/nblib.dir/listed_forces/transformations.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/transformations.cpp
@@ -222496,32 +222400,33 @@
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 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/src/cpp /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_resources.dir/DependInfo.cmake "--color="
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/DependInfo.cmake "--color="
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp && /usr/bin/mpicxx -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/src/cpp -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fvisibility=hidden -MD -MT python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_resources.dir/sessionresources.cpp.o -MF CMakeFiles/gmxapi_extension_resources.dir/sessionresources.cpp.o.d -o CMakeFiles/gmxapi_extension_resources.dir/sessionresources.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/src/cpp/sessionresources.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/src/cpp /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_resources.dir/DependInfo.cmake "--color="
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi && /usr/bin/mpicxx -DGMX_DOUBLE=0 -D_gmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp -I/build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi/src/cpp -I/usr/lib/python3/dist-packages/mpi4py/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /usr/include/python3.13 -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fvisibility=hidden -flto -fno-fat-lto-objects -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/src/cpp/launch_0_2_1.cpp.o -MF CMakeFiles/_gmxapi.dir/src/cpp/launch_0_2_1.cpp.o.d -o CMakeFiles/_gmxapi.dir/src/cpp/launch_0_2_1.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp/launch_0_2_1.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi && /usr/bin/mpicxx -DGMX_DOUBLE=0 -D_gmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp -I/build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi/src/cpp -I/usr/lib/python3/dist-packages/mpi4py/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /usr/include/python3.13 -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fvisibility=hidden -flto -fno-fat-lto-objects -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/src/cpp/module.cpp.o -MF CMakeFiles/_gmxapi.dir/src/cpp/module.cpp.o.d -o CMakeFiles/_gmxapi.dir/src/cpp/module.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp/module.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+/usr/bin/make  -f python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_resources.dir/build.make python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_resources.dir/build
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi && /usr/bin/mpicxx -DGMX_DOUBLE=0 -D_gmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp -I/build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi/src/cpp -I/usr/lib/python3/dist-packages/mpi4py/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /usr/include/python3.13 -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fvisibility=hidden -flto -fno-fat-lto-objects -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/src/cpp/export_context.cpp.o -MF CMakeFiles/_gmxapi.dir/src/cpp/export_context.cpp.o.d -o CMakeFiles/_gmxapi.dir/src/cpp/export_context.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp/export_context.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi && /usr/bin/mpicxx -DGMX_DOUBLE=0 -D_gmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp -I/build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi/src/cpp -I/usr/lib/python3/dist-packages/mpi4py/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /usr/include/python3.13 -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fvisibility=hidden -flto -fno-fat-lto-objects -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/src/cpp/export_system.cpp.o -MF CMakeFiles/_gmxapi.dir/src/cpp/export_system.cpp.o.d -o CMakeFiles/_gmxapi.dir/src/cpp/export_system.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp/export_system.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi && /usr/bin/mpicxx -DGMX_DOUBLE=0 -D_gmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp -I/build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi/src/cpp -I/usr/lib/python3/dist-packages/mpi4py/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /usr/include/python3.13 -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fvisibility=hidden -flto -fno-fat-lto-objects -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/src/cpp/export_tprfile.cpp.o -MF CMakeFiles/_gmxapi.dir/src/cpp/export_tprfile.cpp.o.d -o CMakeFiles/_gmxapi.dir/src/cpp/export_tprfile.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp/export_tprfile.cpp
+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp && /usr/bin/mpicxx -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/src/cpp -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fvisibility=hidden -MD -MT python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_resources.dir/sessionresources.cpp.o -MF CMakeFiles/gmxapi_extension_resources.dir/sessionresources.cpp.o.d -o CMakeFiles/gmxapi_extension_resources.dir/sessionresources.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/src/cpp/sessionresources.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi && /usr/bin/mpicxx -DGMX_DOUBLE=0 -D_gmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp -I/build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi/src/cpp -I/usr/lib/python3/dist-packages/mpi4py/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /usr/include/python3.13 -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fvisibility=hidden -flto -fno-fat-lto-objects -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/src/cpp/gmxpy_exceptions.cpp.o -MF CMakeFiles/_gmxapi.dir/src/cpp/gmxpy_exceptions.cpp.o.d -o CMakeFiles/_gmxapi.dir/src/cpp/gmxpy_exceptions.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp/gmxpy_exceptions.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi && /usr/bin/mpicxx -DGMX_DOUBLE=0 -D_gmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp -I/build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi/src/cpp -I/usr/lib/python3/dist-packages/mpi4py/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /usr/include/python3.13 -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fvisibility=hidden -flto -fno-fat-lto-objects -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/src/cpp/pycontext.cpp.o -MF CMakeFiles/_gmxapi.dir/src/cpp/pycontext.cpp.o.d -o CMakeFiles/_gmxapi.dir/src/cpp/pycontext.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp/pycontext.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi && /usr/bin/mpicxx -DGMX_DOUBLE=0 -D_gmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp -I/build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi/src/cpp -I/usr/lib/python3/dist-packages/mpi4py/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /usr/include/python3.13 -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fvisibility=hidden -flto -fno-fat-lto-objects -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/src/cpp/pysystem.cpp.o -MF CMakeFiles/_gmxapi.dir/src/cpp/pysystem.cpp.o.d -o CMakeFiles/_gmxapi.dir/src/cpp/pysystem.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp/pysystem.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi && /usr/bin/mpicxx -DGMX_DOUBLE=0 -D_gmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp -I/build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi/src/cpp -I/usr/lib/python3/dist-packages/mpi4py/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /usr/include/python3.13 -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fvisibility=hidden -flto -fno-fat-lto-objects -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/src/cpp/wrapped_exceptions_0_3_1.cpp.o -MF CMakeFiles/_gmxapi.dir/src/cpp/wrapped_exceptions_0_3_1.cpp.o.d -o CMakeFiles/_gmxapi.dir/src/cpp/wrapped_exceptions_0_3_1.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp/wrapped_exceptions_0_3_1.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp && /usr/bin/cmake -P CMakeFiles/gmxapi_extension_resources.dir/cmake_clean_target.cmake
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi_extension_resources.dir/link.txt --verbose=1
 /usr/bin/ar qc ../../../../lib/libgmxapi_extension_resources.a CMakeFiles/gmxapi_extension_resources.dir/sessionresources.cpp.o
 /usr/bin/ranlib ../../../../lib/libgmxapi_extension_resources.a
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 [ 97%] Built target gmxapi_extension_resources
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi && /usr/bin/mpicxx -DGMX_DOUBLE=0 -D_gmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp -I/build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi/src/cpp -I/usr/lib/python3/dist-packages/mpi4py/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /usr/include/python3.13 -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fvisibility=hidden -flto -fno-fat-lto-objects -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/src/cpp/pysystem.cpp.o -MF CMakeFiles/_gmxapi.dir/src/cpp/pysystem.cpp.o.d -o CMakeFiles/_gmxapi.dir/src/cpp/pysystem.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp/pysystem.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi && /usr/bin/mpicxx -DGMX_DOUBLE=0 -D_gmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp -I/build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi/src/cpp -I/usr/lib/python3/dist-packages/mpi4py/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /usr/include/python3.13 -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fvisibility=hidden -flto -fno-fat-lto-objects -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/src/cpp/wrapped_exceptions_0_3_1.cpp.o -MF CMakeFiles/_gmxapi.dir/src/cpp/wrapped_exceptions_0_3_1.cpp.o.d -o CMakeFiles/_gmxapi.dir/src/cpp/wrapped_exceptions_0_3_1.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp/wrapped_exceptions_0_3_1.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi && /usr/bin/mpicxx -DGMX_DOUBLE=0 -D_gmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp -I/build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi/src/cpp -I/usr/lib/python3/dist-packages/mpi4py/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /usr/include/python3.13 -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fvisibility=hidden -flto -fno-fat-lto-objects -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/src/cpp/mpi_bindings.cpp.o -MF CMakeFiles/_gmxapi.dir/src/cpp/mpi_bindings.cpp.o.d -o CMakeFiles/_gmxapi.dir/src/cpp/mpi_bindings.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp/mpi_bindings.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi && /usr/bin/mpicxx -DGMX_DOUBLE=0 -D_gmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp -I/build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi/src/cpp -I/usr/lib/python3/dist-packages/mpi4py/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /usr/include/python3.13 -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fvisibility=hidden -flto -fno-fat-lto-objects -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/src/cpp/pycontext_create.cpp.o -MF CMakeFiles/_gmxapi.dir/src/cpp/pycontext_create.cpp.o.d -o CMakeFiles/_gmxapi.dir/src/cpp/pycontext_create.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp/pycontext_create.cpp
 /usr/bin/make  -f python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_ensemblepotential.dir/build.make python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_ensemblepotential.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/src/cpp /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_ensemblepotential.dir/DependInfo.cmake "--color="
@@ -222529,8 +222434,6 @@
 /usr/bin/make  -f python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_ensemblepotential.dir/build.make python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_ensemblepotential.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp && /usr/bin/mpicxx -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/src/cpp -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fvisibility=hidden -MD -MT python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_ensemblepotential.dir/ensemblepotential.cpp.o -MF CMakeFiles/gmxapi_extension_ensemblepotential.dir/ensemblepotential.cpp.o.d -o CMakeFiles/gmxapi_extension_ensemblepotential.dir/ensemblepotential.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/src/cpp/ensemblepotential.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi && /usr/bin/mpicxx -DGMX_DOUBLE=0 -D_gmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp -I/build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi/src/cpp -I/usr/lib/python3/dist-packages/mpi4py/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /usr/include/python3.13 -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fvisibility=hidden -flto -fno-fat-lto-objects -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/src/cpp/pycontext_create.cpp.o -MF CMakeFiles/_gmxapi.dir/src/cpp/pycontext_create.cpp.o.d -o CMakeFiles/_gmxapi.dir/src/cpp/pycontext_create.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp/pycontext_create.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi && /usr/bin/mpicxx -DGMX_DOUBLE=0 -D_gmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp -I/build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi/src/cpp -I/usr/lib/python3/dist-packages/mpi4py/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /usr/include/python3.13 -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fvisibility=hidden -flto -fno-fat-lto-objects -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/src/cpp/mpi_gromacs_support.cpp.o -MF CMakeFiles/_gmxapi.dir/src/cpp/mpi_gromacs_support.cpp.o.d -o CMakeFiles/_gmxapi.dir/src/cpp/mpi_gromacs_support.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp/mpi_gromacs_support.cpp
 /usr/bin/make  -f python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_test.dir/build.make python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_test.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/src/cpp /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_test.dir/DependInfo.cmake "--color="
@@ -222538,18 +222441,19 @@
 /usr/bin/make  -f python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_test.dir/build.make python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_test.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp && /usr/bin/mpicxx -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/src/cpp -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fvisibility=hidden -MD -MT python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_test.dir/nullpotential.cpp.o -MF CMakeFiles/gmxapi_extension_test.dir/nullpotential.cpp.o.d -o CMakeFiles/gmxapi_extension_test.dir/nullpotential.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/src/cpp/nullpotential.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp && /usr/bin/cmake -P CMakeFiles/gmxapi_extension_ensemblepotential.dir/cmake_clean_target.cmake
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi_extension_ensemblepotential.dir/link.txt --verbose=1
-/usr/bin/ar qc ../../../../lib/libgmxapi_extension_ensemblepotential.a CMakeFiles/gmxapi_extension_ensemblepotential.dir/ensemblepotential.cpp.o
-/usr/bin/ranlib ../../../../lib/libgmxapi_extension_ensemblepotential.a
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 97%] Built target gmxapi_extension_ensemblepotential
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi && /usr/bin/mpicxx -DGMX_DOUBLE=0 -D_gmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp -I/build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/gmxapi/src/cpp -I/usr/lib/python3/dist-packages/mpi4py/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /usr/include/python3.13 -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fvisibility=hidden -flto -fno-fat-lto-objects -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/src/cpp/mpi_gromacs_support.cpp.o -MF CMakeFiles/_gmxapi.dir/src/cpp/mpi_gromacs_support.cpp.o.d -o CMakeFiles/_gmxapi.dir/src/cpp/mpi_gromacs_support.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/gmxapi/src/cpp/mpi_gromacs_support.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp && /usr/bin/cmake -P CMakeFiles/gmxapi_extension_test.dir/cmake_clean_target.cmake
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi_extension_test.dir/link.txt --verbose=1
 /usr/bin/ar qc ../../../../lib/libgmxapi_extension_test.a CMakeFiles/gmxapi_extension_test.dir/nullpotential.cpp.o
 /usr/bin/ranlib ../../../../lib/libgmxapi_extension_test.a
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 [ 97%] Built target gmxapi_extension_test
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@@ -222606,146 +222510,158 @@
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/selection && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/selection/CMakeFiles/scanner.dir/parser.cpp.o -MF CMakeFiles/scanner.dir/parser.cpp.o.d -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/selection/parser.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/external/rpc_xdr && /usr/bin/mpicxx -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -MD -MT src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/xdr.cpp.o -MF CMakeFiles/internal_rpc_xdr.dir/xdr.cpp.o.d -o CMakeFiles/internal_rpc_xdr.dir/xdr.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/rpc_xdr/xdr.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/bwlzh.c
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
+/usr/bin/make  -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/build
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/external/rpc_xdr && /usr/bin/mpicxx -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -MD -MT src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/xdr.cpp.o -MF CMakeFiles/internal_rpc_xdr.dir/xdr.cpp.o.d -o CMakeFiles/internal_rpc_xdr.dir/xdr.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/rpc_xdr/xdr.cpp
+cd /build/reproducible-path/gromacs-2025.2 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2025.2-Debian_2025.2_1 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2025.2 -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2025.2/build/mpi-dp/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2025.2/build/mpi-dp/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2025.2-1 -P /build/reproducible-path/gromacs-2025.2/cmake/gmxGenerateVersionInfoWithoutGit.cmake
+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/bwlzh.c
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -MF CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o.d -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/lmfit/lmmin.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/energyanalysis && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-cast-function-type-strict -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/energyterm.cpp.o -MF CMakeFiles/energyanalysis.dir/energyterm.cpp.o.d -o CMakeFiles/energyanalysis.dir/energyterm.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/energyterm.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-stringop-truncation -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -MF CMakeFiles/linearalgebra.dir/eigensolver.cpp.o.d -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/eigensolver.cpp
+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/programs && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -MF CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o.d -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/mdrun.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
+/usr/bin/make  -f src/gromacs/CMakeFiles/colvars_objlib.dir/build.make src/gromacs/CMakeFiles/colvars_objlib.dir/build
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+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
+/usr/bin/make  -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvar.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-stringop-truncation -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -MF CMakeFiles/linearalgebra.dir/eigensolver.cpp.o.d -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/eigensolver.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/selection && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/selection/CMakeFiles/scanner.dir/parser.cpp.o -MF CMakeFiles/scanner.dir/parser.cpp.o.d -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/selection/parser.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
+/usr/bin/make  -f src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/build.make src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/build
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+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/energyanalysis && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-cast-function-type-strict -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/energyterm.cpp.o -MF CMakeFiles/energyanalysis.dir/energyterm.cpp.o.d -o CMakeFiles/energyanalysis.dir/energyterm.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/energyterm.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
-/usr/bin/make  -f src/gromacs/CMakeFiles/colvars_objlib.dir/build.make src/gromacs/CMakeFiles/colvars_objlib.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/abstractoption.cpp.o -MF CMakeFiles/options.dir/abstractoption.cpp.o.d -o CMakeFiles/options.dir/abstractoption.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/abstractoption.cpp
-make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvar.cpp
 [  0%] Built target release-version-info
-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/programs && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -MF CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o.d -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/nonbonded_bench.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/programs && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/programs/CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o -MF CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o.d -o CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/legacymodules.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/tmpi_malloc.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/external/rpc_xdr && /usr/bin/mpicxx -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -MD -MT src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/xdr_array.cpp.o -MF CMakeFiles/internal_rpc_xdr.dir/xdr_array.cpp.o.d -o CMakeFiles/internal_rpc_xdr.dir/xdr_array.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/rpc_xdr/xdr_array.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/atomic.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/lock.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/external/rpc_xdr && /usr/bin/mpicxx -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -MD -MT src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/xdr_float.cpp.o -MF CMakeFiles/internal_rpc_xdr.dir/xdr_float.cpp.o.d -o CMakeFiles/internal_rpc_xdr.dir/xdr_float.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/rpc_xdr/xdr_float.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/pthreads.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/lock.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/pthreads.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
 [  0%] Built target internal_rpc_xdr
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/bwt.c
-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/programs && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/programs/CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o -MF CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o.d -o CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/legacymodules.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
 [  0%] Built target thread_mpi
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/coder.c
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/dict.c
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-stringop-truncation -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -MF CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o.d -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/gmx_arpack.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-stringop-truncation -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/matrix.cpp.o -MF CMakeFiles/linearalgebra.dir/matrix.cpp.o.d -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/matrix.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/selection && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/selection/CMakeFiles/scanner.dir/scanner.cpp.o -MF CMakeFiles/scanner.dir/scanner.cpp.o.d -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/selection/scanner.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/dict.c
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/abstractsection.cpp.o -MF CMakeFiles/options.dir/abstractsection.cpp.o.d -o CMakeFiles/options.dir/abstractsection.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/abstractsection.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/programs && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -MF CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o.d -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/nonbonded_bench.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
+[  0%] Built target gmx_objlib
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-stringop-truncation -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/matrix.cpp.o -MF CMakeFiles/linearalgebra.dir/matrix.cpp.o.d -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/matrix.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/fixpoint.c
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/basicoptions.cpp.o -MF CMakeFiles/options.dir/basicoptions.cpp.o.d -o CMakeFiles/options.dir/basicoptions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/basicoptions.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/huffman.c
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
 [  0%] Built target energyanalysis
-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/abstractsection.cpp.o -MF CMakeFiles/options.dir/abstractsection.cpp.o.d -o CMakeFiles/options.dir/abstractsection.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/abstractsection.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/basicoptions.cpp.o -MF CMakeFiles/options.dir/basicoptions.cpp.o.d -o CMakeFiles/options.dir/basicoptions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/basicoptions.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
-[  0%] Built target lmfit_objlib
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar_neuralnetworkcompute.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar_neuralnetworkcompute.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar_neuralnetworkcompute.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvar_neuralnetworkcompute.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
-[  0%] Built target gmx_objlib
-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvaratoms.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-stringop-truncation -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -MF CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o.d -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/sparsematrix.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
-[  0%] Built target mdrun_objlib
-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abf.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abf.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abf.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_abf.cpp
+[  0%] Built target lmfit_objlib
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/huffmem.c
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-stringop-truncation -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -MF CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o.d -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/sparsematrix.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/lz77.c
-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abmd.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abmd.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abmd.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_abmd.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/filenameoptionmanager.cpp.o -MF CMakeFiles/options.dir/filenameoptionmanager.cpp.o.d -o CMakeFiles/options.dir/filenameoptionmanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/filenameoptionmanager.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/merge_sort.c
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/filenameoptionmanager.cpp.o -MF CMakeFiles/options.dir/filenameoptionmanager.cpp.o.d -o CMakeFiles/options.dir/filenameoptionmanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/filenameoptionmanager.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/rle.c
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvaratoms.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/options.cpp.o -MF CMakeFiles/options.dir/options.cpp.o.d -o CMakeFiles/options.dir/options.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/options.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
+[  0%] Built target mdrun_objlib
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/optionsassigner.cpp.o -MF CMakeFiles/options.dir/optionsassigner.cpp.o.d -o CMakeFiles/options.dir/optionsassigner.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/optionsassigner.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abf.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abf.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abf.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_abf.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/optionsection.cpp.o -MF CMakeFiles/options.dir/optionsection.cpp.o.d -o CMakeFiles/options.dir/optionsection.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/optionsection.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/optionsvisitor.cpp.o -MF CMakeFiles/options.dir/optionsvisitor.cpp.o.d -o CMakeFiles/options.dir/optionsvisitor.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/optionsvisitor.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/options.cpp.o -MF CMakeFiles/options.dir/options.cpp.o.d -o CMakeFiles/options.dir/options.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/options.cpp
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+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
+[  0%] Built target linearalgebra
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram_reweight_amd.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram_reweight_amd.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram_reweight_amd.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_histogram_reweight_amd.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/optionsassigner.cpp.o -MF CMakeFiles/options.dir/optionsassigner.cpp.o.d -o CMakeFiles/options.dir/optionsassigner.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/optionsassigner.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_meta.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_meta.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_meta.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_meta.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/timeunitmanager.cpp.o -MF CMakeFiles/options.dir/timeunitmanager.cpp.o.d -o CMakeFiles/options.dir/timeunitmanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/timeunitmanager.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
-[  0%] Built target linearalgebra
+[  0%] Built target scanner
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/xtc3.c
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-[  0%] Built target scanner
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/options && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/options/CMakeFiles/options.dir/treesupport.cpp.o -MF CMakeFiles/options.dir/treesupport.cpp.o.d -o CMakeFiles/options.dir/treesupport.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/treesupport.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_restraint.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_restraint.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_restraint.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_restraint.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_alchlambda.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_alchlambda.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_alchlambda.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_alchlambda.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/pulling && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/pullcoordexpressionparser.cpp.o -MF CMakeFiles/pulling.dir/pullcoordexpressionparser.cpp.o.d -o CMakeFiles/pulling.dir/pullcoordexpressionparser.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/pullcoordexpressionparser.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/pulling && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/pullutil.cpp.o -MF CMakeFiles/pulling.dir/pullutil.cpp.o.d -o CMakeFiles/pulling.dir/pullutil.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/pullutil.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
+[  0%] Built target options
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_angles.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_angles.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_angles.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_angles.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/pulling && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/transformationcoordinate.cpp.o -MF CMakeFiles/pulling.dir/transformationcoordinate.cpp.o.d -o CMakeFiles/pulling.dir/transformationcoordinate.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/transformationcoordinate.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_apath.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_apath.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_apath.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_apath.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_combination.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_combination.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_combination.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_combination.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
-[  0%] Built target options
-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/pulling && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/pullcoordexpressionparser.cpp.o -MF CMakeFiles/pulling.dir/pullcoordexpressionparser.cpp.o.d -o CMakeFiles/pulling.dir/pullcoordexpressionparser.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/pullcoordexpressionparser.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/pulling && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/pullutil.cpp.o -MF CMakeFiles/pulling.dir/pullutil.cpp.o.d -o CMakeFiles/pulling.dir/pullutil.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/pullutil.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/pulling && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/transformationcoordinate.cpp.o -MF CMakeFiles/pulling.dir/transformationcoordinate.cpp.o.d -o CMakeFiles/pulling.dir/transformationcoordinate.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/transformationcoordinate.cpp
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-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
-[  0%] Built target tng_io_obj
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_gpath.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_gpath.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_gpath.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_gpath.cpp
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-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
-[  0%] Built target pulling
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+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
+[  0%] Built target tng_io_obj
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarmodule.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarmodule.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarmodule.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarmodule.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
+[  0%] Built target pulling
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarparams.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarparams.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarparams.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarparams.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarscript_commands_colvar.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarscript_commands_colvar.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarscript_commands_colvar.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarscript_commands_colvar.cpp
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+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
+[  0%] Built target taskassignment
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o -MF CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o.d -o CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/parrinellorahmanbarostat.cpp
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 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
-[  0%] Built target taskassignment
+[  4%] Built target colvars_objlib
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/propagator.cpp.o -MF CMakeFiles/modularsimulator.dir/propagator.cpp.o.d -o CMakeFiles/modularsimulator.dir/propagator.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/propagator.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/pullelement.cpp.o -MF CMakeFiles/modularsimulator.dir/pullelement.cpp.o.d -o CMakeFiles/modularsimulator.dir/pullelement.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/pullelement.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/referencetemperaturemanager.cpp.o -MF CMakeFiles/modularsimulator.dir/referencetemperaturemanager.cpp.o.d -o CMakeFiles/modularsimulator.dir/referencetemperaturemanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/referencetemperaturemanager.cpp
@@ -222852,8 +222758,6 @@
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/simulatoralgorithm.cpp.o -MF CMakeFiles/modularsimulator.dir/simulatoralgorithm.cpp.o.d -o CMakeFiles/modularsimulator.dir/simulatoralgorithm.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/simulatoralgorithm.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o -MF CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o.d -o CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/statepropagatordata.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/topologyholder.cpp.o -MF CMakeFiles/modularsimulator.dir/topologyholder.cpp.o.d -o CMakeFiles/modularsimulator.dir/topologyholder.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/topologyholder.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
-[  4%] Built target colvars_objlib
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o -MF CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o.d -o CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/trajectoryelement.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/velocityscalingtemperaturecoupling.cpp.o -MF CMakeFiles/modularsimulator.dir/velocityscalingtemperaturecoupling.cpp.o.d -o CMakeFiles/modularsimulator.dir/velocityscalingtemperaturecoupling.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/velocityscalingtemperaturecoupling.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
@@ -223611,11 +223515,11 @@
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/mdmodulesnotifiers.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/mdmodulesnotifiers.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/mdmodulesnotifiers.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/mdmodulesnotifiers.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/threadaffinity.cpp
 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrun/tpi.cpp: In member function 'std::pair<double, double> gmx::TestParticleInsertion::performSingleInsertion(double, int64_t, bool, const gmx::RVec&, t_state*, gmx::MdrunScheduleWorkload*, gmx_wallcycle*, t_nrnb*)':
 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrun/tpi.cpp:494:85: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
   494 |                                                                         t_nrnb* nrnb)
       |                                                                                     ^
-cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/threadaffinity.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o -MF CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o.d -o CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdtypes/state_propagator_data_gpu_impl.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -Wno-cast-function-type-strict -fopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o -MF CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o.d -o CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o -c /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/gromacs/utility/baseversion-gen.cpp
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@@ -223695,38 +223599,38 @@
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib /build/reproducible-path/gromacs-2025.2/build/mpi-dp /build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/nblib /build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/nblib/CMakeFiles/nblib.dir/DependInfo.cmake "--color="
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
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-make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
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 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/programs && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmx.dir/link.txt --verbose=1
+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/gmxapi && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -Dgmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/CMakeFiles/gmxapi.dir/cpp/resourceassignment.cpp.o -MF CMakeFiles/gmxapi.dir/cpp/resourceassignment.cpp.o.d -o CMakeFiles/gmxapi.dir/cpp/resourceassignment.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/resourceassignment.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/gmxapi && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -Dgmxapi_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/CMakeFiles/gmxapi.dir/cpp/context.cpp.o -MF CMakeFiles/gmxapi.dir/cpp/context.cpp.o.d -o CMakeFiles/gmxapi.dir/cpp/context.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/context.cpp
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 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/nblib && /usr/bin/mpicxx -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dnblib_EXPORTS -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -Wno-cast-function-type-strict -MD -MT api/nblib/CMakeFiles/nblib.dir/box.cpp.o -MF CMakeFiles/nblib.dir/box.cpp.o.d -o CMakeFiles/nblib.dir/box.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/box.cpp
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 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
 [ 95%] Built target gmx
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@@ -223751,17 +223655,17 @@
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib/samples /build/reproducible-path/gromacs-2025.2/build/mpi-dp /build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/nblib/samples /build/reproducible-path/gromacs-2025.2/build/mpi-dp/api/nblib/samples/CMakeFiles/methane-water-integration.dir/DependInfo.cmake "--color="
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+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi-dp'
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+[  4%] Built target thread_mpi
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/external/googletest/googletest /build/reproducible-path/gromacs-2025.2/build/mpi/src/external/googletest/googletest/CMakeFiles/gtest.dir/DependInfo.cmake "--color="
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-[  2%] Built target release-version-info
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-[  5%] Built target energyanalysis
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pulling/CMakeFiles/pulling.dir/DependInfo.cmake "--color="
+[  5%] Built target lmfit_objlib
+[  5%] Built target energyanalysis
+[  5%] Built target mdrun_objlib
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+/usr/bin/make  -f src/gromacs/CMakeFiles/colvars_objlib.dir/build.make src/gromacs/CMakeFiles/colvars_objlib.dir/build
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-/usr/bin/make  -f src/gromacs/CMakeFiles/colvars_objlib.dir/build.make src/gromacs/CMakeFiles/colvars_objlib.dir/build
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-make[4]: Nothing to be done for 'src/gromacs/pulling/CMakeFiles/pulling.dir/build'.
+make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/colvars_objlib.dir/build'.
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-make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/colvars_objlib.dir/build'.
+make[4]: Nothing to be done for 'src/gromacs/pulling/CMakeFiles/pulling.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[  5%] Built target pulling
+[  8%] Built target colvars_objlib
+[  8%] Built target pulling
 /usr/bin/make  -f src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/build.make src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/depend
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/taskassignment /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/DependInfo.cmake "--color="
-[  8%] Built target colvars_objlib
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
@@ -223937,10 +223841,10 @@
 [ 60%] Built target libgromacs
 /usr/bin/make  -f src/programs/CMakeFiles/gmx.dir/build.make src/programs/CMakeFiles/gmx.dir/depend
 /usr/bin/make  -f api/gmxapi/CMakeFiles/gmxapi.dir/build.make api/gmxapi/CMakeFiles/gmxapi.dir/depend
+/usr/bin/make  -f api/nblib/CMakeFiles/nblib.dir/build.make api/nblib/CMakeFiles/nblib.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/CMakeFiles/gmx.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-/usr/bin/make  -f api/nblib/CMakeFiles/nblib.dir/build.make api/nblib/CMakeFiles/nblib.dir/depend
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/gmxapi /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/CMakeFiles/gmxapi.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/CMakeFiles/nblib.dir/DependInfo.cmake "--color="
@@ -223949,29 +223853,38 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 make[4]: Nothing to be done for 'src/programs/CMakeFiles/gmx.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+/usr/bin/make  -f api/gmxapi/CMakeFiles/gmxapi.dir/build.make api/gmxapi/CMakeFiles/gmxapi.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+make[4]: Nothing to be done for 'api/gmxapi/CMakeFiles/gmxapi.dir/build'.
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 [ 60%] Built target gmx
 /usr/bin/make  -f python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_spc2_water_box.dir/build.make python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_spc2_water_box.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/tests /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_spc2_water_box.dir/DependInfo.cmake "--color="
+[ 60%] Built target gmxapi
+/usr/bin/make  -f python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_resources.dir/build.make python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_resources.dir/depend
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-/usr/bin/make  -f api/gmxapi/CMakeFiles/gmxapi.dir/build.make api/gmxapi/CMakeFiles/gmxapi.dir/build
+/usr/bin/make  -f python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_spc2_water_box.dir/build.make python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_spc2_water_box.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/src/cpp /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_resources.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/tests && /build/reproducible-path/gromacs-2025.2/build/mpi/bin/gmx_mpi -quiet grompp -f /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/tests/grompp.mdp -c /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/spc2.gro -p /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/spc2.top
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+/usr/bin/make  -f python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_resources.dir/build.make python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_resources.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-make[4]: Nothing to be done for 'api/gmxapi/CMakeFiles/gmxapi.dir/build'.
+make[4]: Nothing to be done for 'python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_resources.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-/usr/bin/make  -f python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_spc2_water_box.dir/build.make python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_spc2_water_box.dir/build
+[ 60%] Built target gmxapi_extension_resources
+/usr/bin/make  -f python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_ensemblepotential.dir/build.make python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_ensemblepotential.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/tests && /build/reproducible-path/gromacs-2025.2/build/mpi/bin/gmx_mpi -quiet grompp -f /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/tests/grompp.mdp -c /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/spc2.gro -p /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/spc2.top
-[ 60%] Built target gmxapi
+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/src/cpp /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_ensemblepotential.dir/DependInfo.cmake "--color="
 [ 61%] Built target nblib
-/usr/bin/make  -f python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_resources.dir/build.make python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_resources.dir/depend
-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/src/cpp /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_resources.dir/DependInfo.cmake "--color="
 /usr/bin/make  -f api/nblib/samples/CMakeFiles/argon-forces-integration.dir/build.make api/nblib/samples/CMakeFiles/argon-forces-integration.dir/depend
 /usr/bin/make  -f api/nblib/samples/CMakeFiles/methane-water-integration.dir/build.make api/nblib/samples/CMakeFiles/methane-water-integration.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
@@ -223979,32 +223892,23 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib/samples /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/samples /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/samples/CMakeFiles/methane-water-integration.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-/usr/bin/make  -f api/nblib/samples/CMakeFiles/methane-water-integration.dir/build.make api/nblib/samples/CMakeFiles/methane-water-integration.dir/build
+/usr/bin/make  -f python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_ensemblepotential.dir/build.make python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_ensemblepotential.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+make[4]: Nothing to be done for 'python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_ensemblepotential.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-/usr/bin/make  -f python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_resources.dir/build.make python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_resources.dir/build
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-/usr/bin/make  -f api/nblib/samples/CMakeFiles/argon-forces-integration.dir/build.make api/nblib/samples/CMakeFiles/argon-forces-integration.dir/build
-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-make[4]: Nothing to be done for 'python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_resources.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+/usr/bin/make  -f api/nblib/samples/CMakeFiles/argon-forces-integration.dir/build.make api/nblib/samples/CMakeFiles/argon-forces-integration.dir/build
+/usr/bin/make  -f api/nblib/samples/CMakeFiles/methane-water-integration.dir/build.make api/nblib/samples/CMakeFiles/methane-water-integration.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 61%] Built target gmxapi_extension_ensemblepotential
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 make[4]: Nothing to be done for 'api/nblib/samples/CMakeFiles/methane-water-integration.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 61%] Built target gmxapi_extension_resources
-[ 61%] Built target methane-water-integration
-/usr/bin/make  -f python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_ensemblepotential.dir/build.make python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_ensemblepotential.dir/depend
-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/src/cpp /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_ensemblepotential.dir/DependInfo.cmake "--color="
 [ 61%] Built target argon-forces-integration
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-/usr/bin/make  -f python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_ensemblepotential.dir/build.make python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_ensemblepotential.dir/build
-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-make[4]: Nothing to be done for 'python_packaging/sample_restraint/src/cpp/CMakeFiles/gmxapi_extension_ensemblepotential.dir/build'.
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 61%] Built target gmxapi_extension_ensemblepotential
+[ 61%] Built target methane-water-integration
 Generating 1-4 interactions: fudge = 0.5
 Number of degrees of freedom in T-Coupling group rest is 9.00
 The integrator does not provide a ensemble temperature, there is no system ensemble temperature
@@ -224021,7 +223925,7 @@
 
 
 There were 2 NOTEs
-Setting the LD random seed to -167895620
+Setting the LD random seed to 1844434935
 
 Generated 3 of the 3 non-bonded parameter combinations
 
@@ -224056,13 +223960,13 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/external/googletest/googlemock /build/reproducible-path/gromacs-2025.2/build/mpi/src/external/googletest/googlemock/CMakeFiles/gmock.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-/usr/bin/make  -f src/external/googletest/googletest/CMakeFiles/gtest_main.dir/build.make src/external/googletest/googletest/CMakeFiles/gtest_main.dir/build
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 /usr/bin/make  -f src/external/googletest/googlemock/CMakeFiles/gmock.dir/build.make src/external/googletest/googlemock/CMakeFiles/gmock.dir/build
-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/external/googletest/googletest && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_CREATE_SHARED_LIBRARY=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -Dgtest_main_EXPORTS -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -Wall -Wshadow -Wno-error=dangling-else -DGTEST_HAS_PTHREAD=1 -fexceptions -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -MD -MT src/external/googletest/googletest/CMakeFiles/gtest_main.dir/src/gtest_main.cc.o -MF CMakeFiles/gtest_main.dir/src/gtest_main.cc.o.d -o CMakeFiles/gtest_main.dir/src/gtest_main.cc.o -c /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/src/gtest_main.cc
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+/usr/bin/make  -f src/external/googletest/googletest/CMakeFiles/gtest_main.dir/build.make src/external/googletest/googletest/CMakeFiles/gtest_main.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/external/googletest/googlemock && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_CAN_STREAM_RESULTS=0 -DGTEST_CREATE_SHARED_LIBRARY=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -D_GNU_SOURCE=1 -Dgmock_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -I/build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -Wall -Wshadow -Wno-error=dangling-else -DGTEST_HAS_PTHREAD=1 -fexceptions -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -Wno-deprecated-copy -MD -MT src/external/googletest/googlemock/CMakeFiles/gmock.dir/src/gmock-all.cc.o -MF CMakeFiles/gmock.dir/src/gmock-all.cc.o.d -o CMakeFiles/gmock.dir/src/gmock-all.cc.o -c /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/src/gmock-all.cc
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/external/googletest/googletest && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_CREATE_SHARED_LIBRARY=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -Dgtest_main_EXPORTS -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fPIC -Wall -Wshadow -Wno-error=dangling-else -DGTEST_HAS_PTHREAD=1 -fexceptions -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -MD -MT src/external/googletest/googletest/CMakeFiles/gtest_main.dir/src/gtest_main.cc.o -MF CMakeFiles/gtest_main.dir/src/gtest_main.cc.o.d -o CMakeFiles/gtest_main.dir/src/gtest_main.cc.o -c /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/src/gtest_main.cc
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/external/googletest/googletest && /usr/bin/cmake -E cmake_link_script CMakeFiles/gtest_main.dir/link.txt --verbose=1
 /usr/bin/mpicxx -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gtest_main.dir/link.d   -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libgtest_main.so.1.13.0 -o ../../../../lib/libgtest_main.so.1.13.0 CMakeFiles/gtest_main.dir/src/gtest_main.cc.o  ../../../../lib/libgtest.so.1.13.0
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/external/googletest/googletest && /usr/bin/cmake -E cmake_symlink_library ../../../../lib/libgtest_main.so.1.13.0 ../../../../lib/libgtest_main.so.1.13.0 ../../../../lib/libgtest_main.so
@@ -224071,16 +223975,16 @@
 /usr/bin/make  -f python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_bounding-test.dir/build.make python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_bounding-test.dir/depend
 /usr/bin/make  -f python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_histogram-test.dir/build.make python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_histogram-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/tests /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_histogram-test.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/tests /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_bounding-test.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/tests /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_histogram-test.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 /usr/bin/make  -f python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_bounding-test.dir/build.make python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_bounding-test.dir/build
-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -I/build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/tests -I/build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/src/cpp -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fvisibility=hidden -MD -MT python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_bounding-test.dir/test_bounding_restraint.cpp.o -MF CMakeFiles/gmxapi_extension_bounding-test.dir/test_bounding_restraint.cpp.o.d -o CMakeFiles/gmxapi_extension_bounding-test.dir/test_bounding_restraint.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/tests/test_bounding_restraint.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 /usr/bin/make  -f python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_histogram-test.dir/build.make python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_histogram-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -I/build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/tests -I/build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/src/cpp -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fvisibility=hidden -MD -MT python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_bounding-test.dir/test_bounding_restraint.cpp.o -MF CMakeFiles/gmxapi_extension_bounding-test.dir/test_bounding_restraint.cpp.o.d -o CMakeFiles/gmxapi_extension_bounding-test.dir/test_bounding_restraint.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/tests/test_bounding_restraint.cpp
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -I/build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/tests -I/build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/src/cpp -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fvisibility=hidden -MD -MT python_packaging/sample_restraint/tests/CMakeFiles/gmxapi_extension_histogram-test.dir/test_histogram.cpp.o -MF CMakeFiles/gmxapi_extension_histogram-test.dir/test_histogram.cpp.o.d -o CMakeFiles/gmxapi_extension_histogram-test.dir/test_histogram.cpp.o -c /build/reproducible-path/gromacs-2025.2/python_packaging/sample_restraint/tests/test_histogram.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/python_packaging/sample_restraint/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi_extension_histogram-test.dir/link.txt --verbose=1
 /usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gmxapi_extension_histogram-test.dir/link.d "CMakeFiles/gmxapi_extension_histogram-test.dir/test_histogram.cpp.o" -o ../../../bin/gmxapi_extension_histogram-test  ../../../lib/libgmxapi_extension_ensemblepotential.a ../../../lib/libgtest_main.so.1.13.0 ../../../lib/libgmxapi_extension_resources.a ../../../lib/libgmxapi_mpi.so.0.4.0 ../../../lib/libgtest.so.1.13.0 -Wl,-rpath-link,/build/reproducible-path/gromacs-2025.2/build/mpi/lib
@@ -224138,123 +224042,109 @@
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 /usr/bin/make  -f src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/depend
 /usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-test.dir/depend
-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests/CMakeFiles/nblib_test_infrastructure.dir/DependInfo.cmake "--color="
+/usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/depend
+/usr/bin/make  -f src/gromacs/gmxlib/nonbonded/tests/CMakeFiles/nonbonded-fep-test.dir/build.make src/gromacs/gmxlib/nonbonded/tests/CMakeFiles/nonbonded-fep-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/testutils/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/testutils/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/testutils/tests/CMakeFiles/testutils-test.dir/DependInfo.cmake "--color="
-/usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/depend
+/usr/bin/make  -f src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build.make src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/testutils/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/testutils/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests/CMakeFiles/utility-test.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxlib/nonbonded/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxlib/nonbonded/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxlib/nonbonded/tests/CMakeFiles/nonbonded-fep-test.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/DependInfo.cmake "--color="
-/usr/bin/make  -f src/gromacs/gmxlib/nonbonded/tests/CMakeFiles/nonbonded-fep-test.dir/build.make src/gromacs/gmxlib/nonbonded/tests/CMakeFiles/nonbonded-fep-test.dir/depend
+/usr/bin/make  -f src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/build.make src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests/CMakeFiles/utility-test.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests/CMakeFiles/nblib_test_infrastructure.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/awh/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/densityfitting/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/densityfitting/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/densityfitting/tests/CMakeFiles/density_fitting_applied_forces-test.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/testutils/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/testutils/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/testutils/tests/CMakeFiles/testutils-test.dir/interactivetest.cpp.o -MF CMakeFiles/testutils-test.dir/interactivetest.cpp.o.d -o CMakeFiles/testutils-test.dir/interactivetest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/tests/interactivetest.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxlib/nonbonded/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxlib/nonbonded/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxlib/nonbonded/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gmxlib/nonbonded/tests/CMakeFiles/nonbonded-fep-test.dir/nb_free_energy.cpp.o -MF CMakeFiles/nonbonded-fep-test.dir/nb_free_energy.cpp.o.d -o CMakeFiles/nonbonded-fep-test.dir/nb_free_energy.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxlib/nonbonded/tests/nb_free_energy.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/qmmm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/qmmm/tests/CMakeFiles/qmmm_applied_forces-test.dir/qmmminputgenerator.cpp.o -MF CMakeFiles/qmmm_applied_forces-test.dir/qmmminputgenerator.cpp.o.d -o CMakeFiles/qmmm_applied_forces-test.dir/qmmminputgenerator.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/qmmm/tests/qmmminputgenerator.cpp
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o -MF CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o.d -o CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/calc_verletbuf.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib_test_infrastructure.dir/testsystems.cpp.o -MF CMakeFiles/nblib_test_infrastructure.dir/testsystems.cpp.o.d -o CMakeFiles/nblib_test_infrastructure.dir/testsystems.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/testsystems.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/alignedallocator.cpp.o -MF CMakeFiles/utility-test.dir/alignedallocator.cpp.o.d -o CMakeFiles/utility-test.dir/alignedallocator.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/alignedallocator.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/testutils/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o -MF CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o.d -o CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/tests/mpitest.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/densityfitting/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/densityfitting/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/densityfitting/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/densityfitting/tests/CMakeFiles/density_fitting_applied_forces-test.dir/densityfitting.cpp.o -MF CMakeFiles/density_fitting_applied_forces-test.dir/densityfitting.cpp.o.d -o CMakeFiles/density_fitting_applied_forces-test.dir/densityfitting.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/densityfitting/tests/densityfitting.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o -MF CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o.d -o CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/calc_verletbuf.cpp
+/usr/bin/make  -f src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/build.make src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/build
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o -MF CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o.d -o CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/physicalnodecommunicator_mpi.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/awh/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/awh_setup.cpp.o -MF CMakeFiles/awh-test.dir/awh_setup.cpp.o.d -o CMakeFiles/awh-test.dir/awh_setup.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/awh_setup.cpp
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests && /usr/bin/mpicxx -DCOLVARS_MPI -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/colvars/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/colvars/tests/CMakeFiles/colvars_applied_forces-test.dir/colvars.cpp.o -MF CMakeFiles/colvars_applied_forces-test.dir/colvars.cpp.o.d -o CMakeFiles/colvars_applied_forces-test.dir/colvars.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/colvars/tests/colvars.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/qmmm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/qmmm/tests/CMakeFiles/qmmm_applied_forces-test.dir/qmmmtopologypreprocessor.cpp.o -MF CMakeFiles/qmmm_applied_forces-test.dir/qmmmtopologypreprocessor.cpp.o.d -o CMakeFiles/qmmm_applied_forces-test.dir/qmmmtopologypreprocessor.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/qmmm/tests/qmmmtopologypreprocessor.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/bitmask32.cpp.o -MF CMakeFiles/utility-test.dir/bitmask32.cpp.o.d -o CMakeFiles/utility-test.dir/bitmask32.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/bitmask32.cpp
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/plumed/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/plumed/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_applied_forces-test.dir/DependInfo.cmake "--color="
@@ -224262,75 +224152,75 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/plumed/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/plumed/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/plumed/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_applied_forces-test.dir/plumedOptions.cpp.o -MF CMakeFiles/plumed_applied_forces-test.dir/plumedOptions.cpp.o.d -o CMakeFiles/plumed_applied_forces-test.dir/plumedOptions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/plumed/tests/plumedOptions.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o -MF CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o.d -o CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/trajectorycomparison.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun_test_infrastructure.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun_test_infrastructure.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-/usr/bin/make  -f src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/build.make src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/depend
-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/nnpot/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/cmake -P CMakeFiles/nblib_test_infrastructure.dir/cmake_clean_target.cmake
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib_test_infrastructure.dir/link.txt --verbose=1
+/usr/bin/ar qc ../../../lib/libnblib_test_infrastructure.a CMakeFiles/nblib_test_infrastructure.dir/testsystems.cpp.o CMakeFiles/nblib_test_infrastructure.dir/__/__/__/src/testutils/unittest_main.cpp.o
+/usr/bin/ranlib ../../../lib/libnblib_test_infrastructure.a
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-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/nnpot/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/nnpot.cpp.o -MF CMakeFiles/nnpot_applied_forces-test.dir/nnpot.cpp.o.d -o CMakeFiles/nnpot_applied_forces-test.dir/nnpot.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/nnpot/tests/nnpot.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/qmmm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -DGMX_CP2K=0 -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/qmmm/tests/CMakeFiles/qmmm_applied_forces-test.dir/qmmmforceprovider.cpp.o -MF CMakeFiles/qmmm_applied_forces-test.dir/qmmmforceprovider.cpp.o.d -o CMakeFiles/qmmm_applied_forces-test.dir/qmmmforceprovider.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/qmmm/tests/qmmmforceprovider.cpp
+[ 64%] Built target nblib_test_infrastructure
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 65%] Built target density_fitting_applied_forces-test
+[ 64%] Built target nonbonded-fep-test
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o -MF CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o.d -o CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/constrtestrunners.cpp
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+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/density_fitting_applied_forces-test.dir/link.d "CMakeFiles/density_fitting_applied_forces-test.dir/densityfitting.cpp.o" "CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingamplitudelookup.cpp.o" "CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingforceprovider.cpp.o" "CMakeFiles/density_fitting_applied_forces-test.dir/densityfittingoptions.cpp.o" "CMakeFiles/density_fitting_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/density_fitting_applied_forces-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 65%] Built target nonbonded-fep-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/energydrifttracker.cpp.o -MF CMakeFiles/mdlib-test.dir/energydrifttracker.cpp.o.d -o CMakeFiles/mdlib-test.dir/energydrifttracker.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/energydrifttracker.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/nnpot/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/nnpotoptions.cpp.o -MF CMakeFiles/nnpot_applied_forces-test.dir/nnpotoptions.cpp.o.d -o CMakeFiles/nnpot_applied_forces-test.dir/nnpotoptions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/nnpot/tests/nnpotoptions.cpp
+[ 65%] Built target density_fitting_applied_forces-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/awh/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/biasstate.cpp.o -MF CMakeFiles/awh-test.dir/biasstate.cpp.o.d -o CMakeFiles/awh-test.dir/biasstate.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/biasstate.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o -MF CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o.d -o CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/trajectorycomparison.cpp
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/qmmm_applied_forces-test.dir/link.d "CMakeFiles/qmmm_applied_forces-test.dir/qmmminputgenerator.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmmtopologypreprocessor.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmmoptions.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmmforceprovider.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmm.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/qmmm_applied_forces-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 65%] Built target qmmm_applied_forces-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/booltype.cpp.o -MF CMakeFiles/utility-test.dir/booltype.cpp.o.d -o CMakeFiles/utility-test.dir/booltype.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/booltype.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/testutils/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/testutils/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/testutils/tests/CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o -MF CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o.d -o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/tests/xvgtest_tests.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/plumed/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/plumed_applied_forces-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/testutils/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/testutils/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/testutils/tests/CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o -MF CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o.d -o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/tests/testasserts_tests.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/awh/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/bias_fep_lambda_state.cpp.o -MF CMakeFiles/awh-test.dir/bias_fep_lambda_state.cpp.o.d -o CMakeFiles/awh-test.dir/bias_fep_lambda_state.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/bias_fep_lambda_state.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/awh/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/friction_metric.cpp.o -MF CMakeFiles/awh-test.dir/friction_metric.cpp.o.d -o CMakeFiles/awh-test.dir/friction_metric.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/friction_metric.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/ebin.cpp.o -MF CMakeFiles/mdlib-test.dir/ebin.cpp.o.d -o CMakeFiles/mdlib-test.dir/ebin.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/ebin.cpp
 /usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/plumed_applied_forces-test.dir/link.d "CMakeFiles/plumed_applied_forces-test.dir/plumedOptions.cpp.o" "CMakeFiles/plumed_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/plumed_applied_forces-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../../lib/libgmock.so.1.13.0 -lm ../../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/bitmask32.cpp.o -MF CMakeFiles/utility-test.dir/bitmask32.cpp.o.d -o CMakeFiles/utility-test.dir/bitmask32.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/bitmask32.cpp
 [ 65%] Built target plumed_applied_forces-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/testutils/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/testutils/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/testutils/tests/CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o -MF CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o.d -o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/tests/xvgtest_tests.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/colvars_applied_forces-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/colvars_applied_forces-test.dir/link.d "CMakeFiles/colvars_applied_forces-test.dir/colvars.cpp.o" "CMakeFiles/colvars_applied_forces-test.dir/colvarsoptions.cpp.o" "CMakeFiles/colvars_applied_forces-test.dir/colvarspreprocessor.cpp.o" "CMakeFiles/colvars_applied_forces-test.dir/colvarsforceprovider.cpp.o" "CMakeFiles/colvars_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/colvars_applied_forces-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../../lib/libgmock.so.1.13.0 -lm ../../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 66%] Built target colvars_applied_forces-test
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/awh/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/biassharing.cpp.o -MF CMakeFiles/awh-test.dir/biassharing.cpp.o.d -o CMakeFiles/awh-test.dir/biassharing.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/biassharing.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/nnpot/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/nnpotforceprovider.cpp.o -MF CMakeFiles/nnpot_applied_forces-test.dir/nnpotforceprovider.cpp.o.d -o CMakeFiles/nnpot_applied_forces-test.dir/nnpotforceprovider.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/nnpot/tests/nnpotforceprovider.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/bitmask128.cpp.o -MF CMakeFiles/utility-test.dir/bitmask128.cpp.o.d -o CMakeFiles/utility-test.dir/bitmask128.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/bitmask128.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/energyoutput.cpp.o -MF CMakeFiles/mdlib-test.dir/energyoutput.cpp.o.d -o CMakeFiles/mdlib-test.dir/energyoutput.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/energyoutput.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/cstringutil.cpp.o -MF CMakeFiles/utility-test.dir/cstringutil.cpp.o.d -o CMakeFiles/utility-test.dir/cstringutil.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/cstringutil.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -P CMakeFiles/mdrun_test_infrastructure.dir/cmake_clean_target.cmake
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun_test_infrastructure.dir/link.txt --verbose=1
-/usr/bin/ar qc ../../../../lib/libmdrun_test_infrastructure.a CMakeFiles/mdrun_test_infrastructure.dir/energyreader.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/energycomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/moduletest.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/simulatorcomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/terminationhelper.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o
-/usr/bin/ranlib ../../../../lib/libmdrun_test_infrastructure.a
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 68%] Built target mdrun_test_infrastructure
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/testutils/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/testutils/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/testutils/tests/CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -MF CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o.d -o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/qmmm_applied_forces-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/qmmm_applied_forces-test.dir/link.d "CMakeFiles/qmmm_applied_forces-test.dir/qmmminputgenerator.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmmtopologypreprocessor.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmmoptions.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmmforceprovider.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/qmmm.cpp.o" "CMakeFiles/qmmm_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/qmmm_applied_forces-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 68%] Built target qmmm_applied_forces-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o -MF CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o.d -o CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/defaultinitializationallocator.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 68%] Built target testutils-test
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/nnpot/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/nnpot_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/nnpot_applied_forces-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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+/usr/bin/make  -f src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/build.make src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 66%] Built target colvars_applied_forces-test
 /usr/bin/make  -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/DependInfo.cmake "--color="
@@ -224338,12 +224228,9 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/electricfield.cpp.o -MF CMakeFiles/applied_forces-test.dir/electricfield.cpp.o.d -o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/tests/electricfield.cpp
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 68%] Built target nnpot_applied_forces-test
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 /usr/bin/make  -f src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/build.make src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/listed_forces/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/listed_forces/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/DependInfo.cmake "--color="
@@ -224351,15 +224238,18 @@
 /usr/bin/make  -f src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/build.make src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/listed_forces/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/bonded.cpp.o -MF CMakeFiles/listed_forces-test.dir/bonded.cpp.o.d -o CMakeFiles/listed_forces-test.dir/bonded.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/listed_forces/tests/bonded.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/freeenergyparameters.cpp.o -MF CMakeFiles/mdlib-test.dir/freeenergyparameters.cpp.o.d -o CMakeFiles/mdlib-test.dir/freeenergyparameters.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/freeenergyparameters.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/nnpot/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/nnpot/tests/CMakeFiles/nnpot_applied_forces-test.dir/nnpottopologypreprocessor.cpp.o -MF CMakeFiles/nnpot_applied_forces-test.dir/nnpottopologypreprocessor.cpp.o.d -o CMakeFiles/nnpot_applied_forces-test.dir/nnpottopologypreprocessor.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/nnpot/tests/nnpottopologypreprocessor.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -P CMakeFiles/mdrun_test_infrastructure.dir/cmake_clean_target.cmake
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun_test_infrastructure.dir/link.txt --verbose=1
+/usr/bin/ar qc ../../../../lib/libmdrun_test_infrastructure.a CMakeFiles/mdrun_test_infrastructure.dir/energyreader.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/energycomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/moduletest.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/simulatorcomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/terminationhelper.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o
+/usr/bin/ranlib ../../../../lib/libmdrun_test_infrastructure.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 68%] Built target applied_forces-test
+[ 68%] Built target mdrun_test_infrastructure
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/listed_forces/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/pairs.cpp.o -MF CMakeFiles/listed_forces-test.dir/pairs.cpp.o.d -o CMakeFiles/listed_forces-test.dir/pairs.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/listed_forces/tests/pairs.cpp
 /usr/bin/make  -f src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/build.make src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/nbnxm/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/DependInfo.cmake "--color="
@@ -224367,8 +224257,28 @@
 /usr/bin/make  -f src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/build.make src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/nbnxm/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/exclusions.cpp.o -MF CMakeFiles/nbnxm-test.dir/exclusions.cpp.o.d -o CMakeFiles/nbnxm-test.dir/exclusions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/exclusions.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/nbnxm/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/kernel_test.cpp.o -MF CMakeFiles/nbnxm-test.dir/kernel_test.cpp.o.d -o CMakeFiles/nbnxm-test.dir/kernel_test.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/kernel_test.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/applied_forces-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/applied_forces-test.dir/link.d "CMakeFiles/applied_forces-test.dir/electricfield.cpp.o" "CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/applied_forces-test  ../../../../lib/libtestutils.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 68%] Built target applied_forces-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/nbnxm/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/kernelsetup.cpp.o -MF CMakeFiles/nbnxm-test.dir/kernelsetup.cpp.o.d -o CMakeFiles/nbnxm-test.dir/kernelsetup.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/kernelsetup.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 68%] Built target awh-test
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/listed_forces/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/position_restraints.cpp.o -MF CMakeFiles/listed_forces-test.dir/position_restraints.cpp.o.d -o CMakeFiles/listed_forces-test.dir/position_restraints.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/listed_forces/tests/position_restraints.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 68%] Built target nnpot_applied_forces-test
 /usr/bin/make  -f src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-gpu-test.dir/build.make src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-gpu-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/nbnxm/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-gpu-test.dir/DependInfo.cmake "--color="
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 /usr/bin/make  -f src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-gpu-test.dir/build.make src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-gpu-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/nbnxm/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/nbnxm-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/nbnxm-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o -MF CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o.d -o CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/inmemoryserializer.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/langevintestrunners.cpp.o -MF CMakeFiles/mdlib-test.dir/langevintestrunners.cpp.o.d -o CMakeFiles/mdlib-test.dir/langevintestrunners.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/langevintestrunners.cpp
+/build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/testsystem.cpp: In function 'std::pair<float, float> gmx::test::{anonymous}::combineLJParams(real, real, real, real, gmx::LJCombinationRule)':
+/build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/testsystem.cpp:94:80: note: parameter passing for argument of type 'std::pair<float, float>' when C++17 is enabled changed to match C++14 in GCC 10.1
+   94 |                                       const LJCombinationRule ljCombinationRule)
+      |                                                                                ^
 /usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/DependInfo.cmake "--color="
@@ -224385,15 +224302,8 @@
 /usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o -MF CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o.d -o CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/onlinehelp/tests/mock_helptopic.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/nbnxm/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nbnxm-gpu-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nbnxm-gpu-test.dir/link.d "CMakeFiles/nbnxm-gpu-test.dir/pairlist.cpp.o" "CMakeFiles/nbnxm-gpu-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/nbnxm-gpu-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 68%] Built target nbnxm-gpu-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/awh/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/friction_metric.cpp.o -MF CMakeFiles/awh-test.dir/friction_metric.cpp.o.d -o CMakeFiles/awh-test.dir/friction_metric.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/tests/friction_metric.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/awh/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/awh/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/awh/tests/CMakeFiles/awh-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/awh-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/awh-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/nbnxm/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/kernel_test.cpp.o -MF CMakeFiles/nbnxm-test.dir/kernel_test.cpp.o.d -o CMakeFiles/nbnxm-test.dir/kernel_test.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/kernel_test.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o -MF CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o.d -o CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/keyvaluetreeserializer.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/leapfrog.cpp.o -MF CMakeFiles/mdlib-test.dir/leapfrog.cpp.o.d -o CMakeFiles/mdlib-test.dir/leapfrog.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/leapfrog.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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@@ -224401,10 +224311,11 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/domdec/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/domdec/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/hashedmap.cpp.o -MF CMakeFiles/domdec-test.dir/hashedmap.cpp.o.d -o CMakeFiles/domdec-test.dir/hashedmap.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/domdec/tests/hashedmap.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 68%] Built target nbnxm-gpu-test
 /usr/bin/make  -f src/gromacs/domdec/tests/CMakeFiles/domdec-mpi-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-mpi-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/domdec/tests/CMakeFiles/domdec-mpi-test.dir/DependInfo.cmake "--color="
@@ -224412,18 +224323,50 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/domdec/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/domdec/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/domdec/tests/CMakeFiles/domdec-mpi-test.dir/haloexchange_mpi.cpp.o -MF CMakeFiles/domdec-mpi-test.dir/haloexchange_mpi.cpp.o.d -o CMakeFiles/domdec-mpi-test.dir/haloexchange_mpi.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/domdec/tests/haloexchange_mpi.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/domdec/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/domdec/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o -MF CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o.d -o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/domdec/tests/localatomsetmanager.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/listed_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/listed_forces-test.dir/link.txt --verbose=1
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+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/listed_forces-test.dir/link.d "CMakeFiles/listed_forces-test.dir/bonded.cpp.o" "CMakeFiles/listed_forces-test.dir/pairs.cpp.o" "CMakeFiles/listed_forces-test.dir/position_restraints.cpp.o" "CMakeFiles/listed_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/listed_forces-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 69%] Built target listed_forces-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/domdec/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/domdec/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/settle.cpp.o -MF CMakeFiles/mdlib-test.dir/settle.cpp.o.d -o CMakeFiles/mdlib-test.dir/settle.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/settle.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/onlinehelp-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/onlinehelp-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/logger.cpp.o -MF CMakeFiles/utility-test.dir/logger.cpp.o.d -o CMakeFiles/utility-test.dir/logger.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/logger.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/nbnxm/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nbnxm-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/domdec/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/domdec-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/settletestdata.cpp.o -MF CMakeFiles/mdlib-test.dir/settletestdata.cpp.o.d -o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/settletestdata.cpp
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nbnxm-test.dir/link.d "CMakeFiles/nbnxm-test.dir/exclusions.cpp.o" "CMakeFiles/nbnxm-test.dir/kernel_test.cpp.o" "CMakeFiles/nbnxm-test.dir/kernelsetup.cpp.o" "CMakeFiles/nbnxm-test.dir/simd_energy_accumulator.cpp.o" "CMakeFiles/nbnxm-test.dir/testsystem.cpp.o" "CMakeFiles/nbnxm-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/nbnxm-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 70%] Built target nbnxm-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o -MF CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o.d -o CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/settletestrunners.cpp
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/domdec-test.dir/link.d "CMakeFiles/domdec-test.dir/hashedmap.cpp.o" "CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o" "CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/domdec-test  ../../../../lib/libtestutils.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 70%] Built target domdec-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/message_string_collector.cpp.o -MF CMakeFiles/utility-test.dir/message_string_collector.cpp.o.d -o CMakeFiles/utility-test.dir/message_string_collector.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/message_string_collector.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/path.cpp.o -MF CMakeFiles/utility-test.dir/path.cpp.o.d -o CMakeFiles/utility-test.dir/path.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/path.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/onlinehelp/tests && /usr/bin/cmake -P CMakeFiles/onlinehelp-test-shared.dir/cmake_clean_target.cmake
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test-shared.dir/link.txt --verbose=1
 /usr/bin/ar qc ../../../../lib/libonlinehelp-test-shared.a "CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o" "CMakeFiles/onlinehelp-test-shared.dir/__/__/__/testutils/unittest_main.cpp.o"
 /usr/bin/ranlib ../../../../lib/libonlinehelp-test-shared.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 68%] Built target onlinehelp-test-shared
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/listed_forces/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/listed_forces/tests/CMakeFiles/listed_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/listed_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/listed_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o -MF CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o.d -o CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/leapfrogtestdata.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/awh/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/awh-test.dir/link.txt --verbose=1
+[ 70%] Built target onlinehelp-test-shared
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 /usr/bin/make  -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/ewald/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/ewald/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/DependInfo.cmake "--color="
@@ -224431,9 +224374,7 @@
 /usr/bin/make  -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/ewald/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_DYNAMIC_REGISTRATION=true -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o -MF CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o.d -o CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/ewald/tests/pmebsplinetest.cpp
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/awh-test.dir/link.d "CMakeFiles/awh-test.dir/awh_setup.cpp.o" "CMakeFiles/awh-test.dir/bias.cpp.o" "CMakeFiles/awh-test.dir/biasgrid.cpp.o" "CMakeFiles/awh-test.dir/biassharing.cpp.o" "CMakeFiles/awh-test.dir/biasstate.cpp.o" "CMakeFiles/awh-test.dir/bias_fep_lambda_state.cpp.o" "CMakeFiles/awh-test.dir/friction_metric.cpp.o" "CMakeFiles/awh-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../../bin/awh-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 68%] Built target awh-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o -MF CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o.d -o CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/updategroupscog.cpp
 /usr/bin/make  -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/fft/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/fft/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/fft/tests/CMakeFiles/fft-test.dir/DependInfo.cmake "--color="
@@ -224441,30 +224382,6 @@
 /usr/bin/make  -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/fft/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/fft/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/fft/tests/CMakeFiles/fft-test.dir/fft.cpp.o -MF CMakeFiles/fft-test.dir/fft.cpp.o.d -o CMakeFiles/fft-test.dir/fft.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fft/tests/fft.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/listed_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/listed_forces-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/fft/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/fft/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/fft/tests/CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/utility/tests/CMakeFiles/utility-test.dir/range.cpp.o -MF CMakeFiles/utility-test.dir/range.cpp.o.d -o CMakeFiles/utility-test.dir/range.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/utility/tests/range.cpp
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/listed_forces-test.dir/link.d "CMakeFiles/listed_forces-test.dir/bonded.cpp.o" "CMakeFiles/listed_forces-test.dir/pairs.cpp.o" "CMakeFiles/listed_forces-test.dir/position_restraints.cpp.o" "CMakeFiles/listed_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/listed_forces-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 69%] Built target listed_forces-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o -MF CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o.d -o CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/leapfrogtestrunners.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/nbnxm/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/nbnxm/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/nbnxm/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/nbnxm/tests/CMakeFiles/nbnxm-test.dir/testsystem.cpp.o -MF CMakeFiles/nbnxm-test.dir/testsystem.cpp.o.d -o CMakeFiles/nbnxm-test.dir/testsystem.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/testsystem.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/parrinellorahman.cpp.o -MF CMakeFiles/mdlib-test.dir/parrinellorahman.cpp.o.d -o CMakeFiles/mdlib-test.dir/parrinellorahman.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/parrinellorahman.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/domdec/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/domdec/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-/build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/testsystem.cpp: In function 'std::pair<float, float> gmx::test::{anonymous}::combineLJParams(real, real, real, real, gmx::LJCombinationRule)':
-/build/reproducible-path/gromacs-2025.2/src/gromacs/nbnxm/tests/testsystem.cpp:94:80: note: parameter passing for argument of type 'std::pair<float, float>' when C++17 is enabled changed to match C++14 in GCC 10.1
-   94 |                                       const LJCombinationRule ljCombinationRule)
-      |                                                                                ^
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/settle.cpp.o -MF CMakeFiles/mdlib-test.dir/settle.cpp.o.d -o CMakeFiles/mdlib-test.dir/settle.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/settle.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/ewald/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_DYNAMIC_REGISTRATION=true -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/pmegathertest.cpp.o -MF CMakeFiles/ewald-test.dir/pmegathertest.cpp.o.d -o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/ewald/tests/pmegathertest.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/settletestdata.cpp.o -MF CMakeFiles/mdlib-test.dir/settletestdata.cpp.o.d -o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/settletestdata.cpp
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/gpu_utils/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gpu_utils/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/DependInfo.cmake "--color="
@@ -224472,15 +224389,10 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gpu_utils/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o -MF CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o.d -o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gpu_utils/tests/clfftinitializer.cpp
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 69%] Built target domdec-mpi-test
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gpu_utils/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/device_stream_manager.cpp.o -MF CMakeFiles/gpu_utils-test.dir/device_stream_manager.cpp.o.d -o CMakeFiles/gpu_utils-test.dir/device_stream_manager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gpu_utils/tests/device_stream_manager.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/nbnxm/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nbnxm-test.dir/link.txt --verbose=1
 /usr/bin/make  -f src/gromacs/math/tests/CMakeFiles/math-test.dir/build.make src/gromacs/math/tests/CMakeFiles/math-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/math/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests/CMakeFiles/math-test.dir/DependInfo.cmake "--color="
@@ -224498,22 +224411,11 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/arrayrefwithpadding.cpp.o -MF CMakeFiles/math-test.dir/arrayrefwithpadding.cpp.o.d -o CMakeFiles/math-test.dir/arrayrefwithpadding.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/math/tests/arrayrefwithpadding.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/fft/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fft-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/boxmatrix.cpp.o -MF CMakeFiles/math-test.dir/boxmatrix.cpp.o.d -o CMakeFiles/math-test.dir/boxmatrix.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/math/tests/boxmatrix.cpp
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fft-test.dir/link.d "CMakeFiles/fft-test.dir/fft.cpp.o" "CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/fft-test  ../../../../lib/libtestutils.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 70%] Built target fft-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/complex.cpp.o -MF CMakeFiles/math-test.dir/complex.cpp.o.d -o CMakeFiles/math-test.dir/complex.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/math/tests/complex.cpp
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nbnxm-test.dir/link.d "CMakeFiles/nbnxm-test.dir/exclusions.cpp.o" "CMakeFiles/nbnxm-test.dir/kernel_test.cpp.o" "CMakeFiles/nbnxm-test.dir/kernelsetup.cpp.o" "CMakeFiles/nbnxm-test.dir/simd_energy_accumulator.cpp.o" "CMakeFiles/nbnxm-test.dir/testsystem.cpp.o" "CMakeFiles/nbnxm-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/nbnxm-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 72%] Built target nbnxm-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 72%] Built target fft-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdspan/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdspan/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/DependInfo.cmake "--color="
@@ -224532,23 +224451,14 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o -MF CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o.d -o CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/math/tests/exponentialmovingaverage.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/ewald/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_DYNAMIC_REGISTRATION=true -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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@@ -224556,15 +224466,16 @@
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 73%] Built target mdlib-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/DependInfo.cmake "--color="
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/ewald/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/ewald-test.dir/link.txt --verbose=1
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 /usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/ewald-test.dir/link.d "CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o" "CMakeFiles/ewald-test.dir/pmegathertest.cpp.o" "CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o" "CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o" "CMakeFiles/ewald-test.dir/pme.cpp.o" "CMakeFiles/ewald-test.dir/pmetestcommon.cpp.o" "CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/ewald-test  ../../../../lib/libtestutils.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 72%] Built target ewald-test
+[ 73%] Built target ewald-test
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdspan/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdspan/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/layouts.cpp.o -MF CMakeFiles/mdspan-test.dir/layouts.cpp.o.d -o CMakeFiles/mdspan-test.dir/layouts.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdspan/tests/layouts.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/hardware/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/hardware-test.dir/link.txt --verbose=1
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 72%] Built target mdspan-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/gausstransform.cpp.o -MF CMakeFiles/math-test.dir/gausstransform.cpp.o.d -o CMakeFiles/math-test.dir/gausstransform.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/math/tests/gausstransform.cpp
 /usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/hardware-test.dir/link.d "CMakeFiles/hardware-test.dir/cpuinfo.cpp.o" "CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o" "CMakeFiles/hardware-test.dir/mockhardwaretopology.cpp.o" "CMakeFiles/hardware-test.dir/device_management.cpp.o" "CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/hardware-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 73%] Built target hardware-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdtypes/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdtypes/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdtypes/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdtypes/tests/CMakeFiles/mdtypes-test.dir/forcebuffers.cpp.o -MF CMakeFiles/mdtypes-test.dir/forcebuffers.cpp.o.d -o CMakeFiles/mdtypes-test.dir/forcebuffers.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdtypes/tests/forcebuffers.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/onlinehelp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o -MF CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o.d -o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/onlinehelp/tests/helpwritercontext.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/onlinehelp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/filenameoption.cpp.o -MF CMakeFiles/options-test.dir/filenameoption.cpp.o.d -o CMakeFiles/options-test.dir/filenameoption.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests/filenameoption.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/mdgpugraph.cpp.o -MF CMakeFiles/mdlib-test.dir/mdgpugraph.cpp.o.d -o CMakeFiles/mdlib-test.dir/mdgpugraph.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/mdgpugraph.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/settletestrunners_gpu.cpp.o -MF CMakeFiles/mdlib-test.dir/settletestrunners_gpu.cpp.o.d -o CMakeFiles/mdlib-test.dir/settletestrunners_gpu.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/settletestrunners_gpu.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/onlinehelp-test.dir/link.d "CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o" "CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o" "CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o" "CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/onlinehelp-test  ../../../../lib/libtestutils.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 73%] Built target onlinehelp-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/wholemoleculetransform.cpp.o -MF CMakeFiles/mdlib-test.dir/wholemoleculetransform.cpp.o.d -o CMakeFiles/mdlib-test.dir/wholemoleculetransform.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdlib/tests/wholemoleculetransform.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o -MF CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o.d -o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests/filenameoptionmanager.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/densityfittingforce.cpp.o -MF CMakeFiles/math-test.dir/densityfittingforce.cpp.o.d -o CMakeFiles/math-test.dir/densityfittingforce.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/math/tests/densityfittingforce.cpp
+[ 74%] Built target hardware-test
 /usr/bin/make  -f src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build.make src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pbcutil/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/DependInfo.cmake "--color="
@@ -224622,19 +224516,7 @@
 /usr/bin/make  -f src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build.make src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pbcutil/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pbcutil/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/com.cpp.o -MF CMakeFiles/pbcutil-test.dir/com.cpp.o.d -o CMakeFiles/pbcutil-test.dir/com.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/tests/com.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gpu_utils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gpu_utils-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdtypes/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdtypes/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdtypes/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdtypes/tests/CMakeFiles/mdtypes-test.dir/multipletimestepping.cpp.o -MF CMakeFiles/mdtypes-test.dir/multipletimestepping.cpp.o.d -o CMakeFiles/mdtypes-test.dir/multipletimestepping.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdtypes/tests/multipletimestepping.cpp
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gpu_utils-test.dir/link.d "CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o" "CMakeFiles/gpu_utils-test.dir/device_availability.cpp.o" "CMakeFiles/gpu_utils-test.dir/device_stream_manager.cpp.o" "CMakeFiles/gpu_utils-test.dir/pinnedmemorychecker.cpp.o" "CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o" "CMakeFiles/gpu_utils-test.dir/device_buffer.cpp.o" "CMakeFiles/gpu_utils-test.dir/gpueventsynchronizer.cpp.o" "CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o" "CMakeFiles/gpu_utils-test.dir/typecasts.cpp.o" "CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/gpu_utils-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 73%] Built target gpu_utils-test
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pbcutil/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pbcutil/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/mshift.cpp.o -MF CMakeFiles/pbcutil-test.dir/mshift.cpp.o.d -o CMakeFiles/pbcutil-test.dir/mshift.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/tests/mshift.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdtypes/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdtypes/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdtypes/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdtypes/tests/CMakeFiles/mdtypes-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdtypes-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdtypes-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/invertmatrix.cpp.o -MF CMakeFiles/math-test.dir/invertmatrix.cpp.o.d -o CMakeFiles/math-test.dir/invertmatrix.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/math/tests/invertmatrix.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlib-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/utility-test.dir/link.d "CMakeFiles/utility-test.dir/alignedallocator.cpp.o" "CMakeFiles/utility-test.dir/arrayref.cpp.o" "CMakeFiles/utility-test.dir/booltype.cpp.o" "CMakeFiles/utility-test.dir/bitmask32.cpp.o" "CMakeFiles/utility-test.dir/bitmask64.cpp.o" "CMakeFiles/utility-test.dir/bitmask128.cpp.o" "CMakeFiles/utility-test.dir/cstringutil.cpp.o" "CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o" "CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o" "CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o" "CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o" "CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o" "CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o" "CMakeFiles/utility-test.dir/listoflists.cpp.o" "CMakeFiles/utility-test.dir/logger.cpp.o" "CMakeFiles/utility-test.dir/message_string_collector.cpp.o" "CMakeFiles/utility-test.dir/path.cpp.o" "CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o" "CMakeFiles/utility-test.dir/range.cpp.o" "CMakeFiles/utility-test.dir/scope_guard.cpp.o" "CMakeFiles/utility-test.dir/strconvert.cpp.o" "CMakeFiles/utility-test.dir/stringtoenumvalueconverter.cpp.o" "CMakeFiles/utility-test.dir/stringutil.cpp.o" "CMakeFiles/utility-test.dir/template_mp.cpp.o" "CMakeFiles/utility-test.dir/textreader.cpp.o" "CMakeFiles/utility-test.dir/textwriter.cpp.o" "CMakeFiles/utility-test.dir/typetraits.cpp.o" "CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/utility-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 74%] Built target utility-test
 /usr/bin/make  -f src/gromacs/random/tests/CMakeFiles/random-test.dir/build.make src/gromacs/random/tests/CMakeFiles/random-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/random/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/random/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/random/tests/CMakeFiles/random-test.dir/DependInfo.cmake "--color="
@@ -224642,12 +224524,18 @@
 /usr/bin/make  -f src/gromacs/random/tests/CMakeFiles/random-test.dir/build.make src/gromacs/random/tests/CMakeFiles/random-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/random/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/exponentialdistribution.cpp.o -MF CMakeFiles/random-test.dir/exponentialdistribution.cpp.o.d -o CMakeFiles/random-test.dir/exponentialdistribution.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/random/tests/exponentialdistribution.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pbcutil/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pbcutil/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/pbc.cpp.o -MF CMakeFiles/pbcutil-test.dir/pbc.cpp.o.d -o CMakeFiles/pbcutil-test.dir/pbc.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/tests/pbc.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/matrix.cpp.o -MF CMakeFiles/math-test.dir/matrix.cpp.o.d -o CMakeFiles/math-test.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/math/tests/matrix.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pbcutil/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pbcutil/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o -MF CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o.d -o CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/tests/pbcenums.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdspan/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdspan/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/mdspan.cpp.o -MF CMakeFiles/mdspan-test.dir/mdspan.cpp.o.d -o CMakeFiles/mdspan-test.dir/mdspan.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdspan/tests/mdspan.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/onlinehelp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdtypes/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdtypes/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdtypes/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdtypes/tests/CMakeFiles/mdtypes-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdtypes-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdtypes-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 76%] Built target mdlib-test
+[ 74%] Built target onlinehelp-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/filenameoption.cpp.o -MF CMakeFiles/options-test.dir/filenameoption.cpp.o.d -o CMakeFiles/options-test.dir/filenameoption.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests/filenameoption.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 76%] Built target utility-test
 /usr/bin/make  -f src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build.make src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/restraint/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/restraint/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/DependInfo.cmake "--color="
@@ -224655,20 +224543,39 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdspan/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdspan/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/random/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/gammadistribution.cpp.o -MF CMakeFiles/random-test.dir/gammadistribution.cpp.o.d -o CMakeFiles/random-test.dir/gammadistribution.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/random/tests/gammadistribution.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/optionsassigner.cpp.o -MF CMakeFiles/options-test.dir/optionsassigner.cpp.o.d -o CMakeFiles/options-test.dir/optionsassigner.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests/optionsassigner.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/random/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/normaldistribution.cpp.o -MF CMakeFiles/random-test.dir/normaldistribution.cpp.o.d -o CMakeFiles/random-test.dir/normaldistribution.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/random/tests/normaldistribution.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/restraint/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/restraint/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tables/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tables/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/tables/tests/CMakeFiles/table-test.dir/splinetable.cpp.o -MF CMakeFiles/table-test.dir/splinetable.cpp.o.d -o CMakeFiles/table-test.dir/splinetable.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/tables/tests/splinetable.cpp
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+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/restraintpotential-test.dir/link.d "CMakeFiles/restraintpotential-test.dir/manager.cpp.o" "CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/restraintpotential-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 76%] Built target restraintpotential-test
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 76%] Built target mdspan-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/densityfittingforce.cpp.o -MF CMakeFiles/math-test.dir/densityfittingforce.cpp.o.d -o CMakeFiles/math-test.dir/densityfittingforce.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/math/tests/densityfittingforce.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pbcutil/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pbcutil/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o -MF CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o.d -o CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/tests/pbcenums.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/option.cpp.o -MF CMakeFiles/options-test.dir/option.cpp.o.d -o CMakeFiles/options-test.dir/option.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests/option.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 76%] Built target gpu_utils-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pbcutil/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pbcutil/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/optionsassigner.cpp.o -MF CMakeFiles/options-test.dir/optionsassigner.cpp.o.d -o CMakeFiles/options-test.dir/optionsassigner.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests/optionsassigner.cpp
 /usr/bin/make  -f src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build.make src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/taskassignment/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/DependInfo.cmake "--color="
@@ -224677,27 +224584,8 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/taskassignment/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/taskassignment/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o -MF CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o.d -o CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/tests/usergpuids.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/taskassignment/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/taskassignment/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/neldermead.cpp.o -MF CMakeFiles/math-test.dir/neldermead.cpp.o.d -o CMakeFiles/math-test.dir/neldermead.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/math/tests/neldermead.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pbcutil/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pbcutil-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/restraint/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/restraintpotential-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdtypes/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdtypes-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/random/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/normaldistribution.cpp.o -MF CMakeFiles/random-test.dir/normaldistribution.cpp.o.d -o CMakeFiles/random-test.dir/normaldistribution.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/random/tests/normaldistribution.cpp
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdtypes-test.dir/link.d "CMakeFiles/mdtypes-test.dir/enerdata.cpp.o" "CMakeFiles/mdtypes-test.dir/observablesreducer.cpp.o" "CMakeFiles/mdtypes-test.dir/checkpointdata.cpp.o" "CMakeFiles/mdtypes-test.dir/forcebuffers.cpp.o" "CMakeFiles/mdtypes-test.dir/multipletimestepping.cpp.o" "CMakeFiles/mdtypes-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/mdtypes-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 77%] Built target mdtypes-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/repeatingsection.cpp.o -MF CMakeFiles/options-test.dir/repeatingsection.cpp.o.d -o CMakeFiles/options-test.dir/repeatingsection.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests/repeatingsection.cpp
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pbcutil-test.dir/link.d "CMakeFiles/pbcutil-test.dir/com.cpp.o" "CMakeFiles/pbcutil-test.dir/mshift.cpp.o" "CMakeFiles/pbcutil-test.dir/pbc.cpp.o" "CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o" "CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/pbcutil-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 77%] Built target pbcutil-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/random/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/seed.cpp.o -MF CMakeFiles/random-test.dir/seed.cpp.o.d -o CMakeFiles/random-test.dir/seed.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/random/tests/seed.cpp
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/restraintpotential-test.dir/link.d "CMakeFiles/restraintpotential-test.dir/manager.cpp.o" "CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/restraintpotential-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 77%] Built target restraintpotential-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/options/tests/CMakeFiles/options-test.dir/timeunitmanager.cpp.o -MF CMakeFiles/options-test.dir/timeunitmanager.cpp.o.d -o CMakeFiles/options-test.dir/timeunitmanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/tests/timeunitmanager.cpp
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 /usr/bin/make  -f src/gromacs/timing/tests/CMakeFiles/timing-test.dir/build.make src/gromacs/timing/tests/CMakeFiles/timing-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/timing/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/timing/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/timing/tests/CMakeFiles/timing-test.dir/DependInfo.cmake "--color="
@@ -224705,15 +224593,12 @@
 /usr/bin/make  -f src/gromacs/timing/tests/CMakeFiles/timing-test.dir/build.make src/gromacs/timing/tests/CMakeFiles/timing-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 77%] Built target taskassignment-test
+[ 77%] Built target mdtypes-test
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/topology/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/topology/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/topology/tests/CMakeFiles/topology-test.dir/atoms.cpp.o -MF CMakeFiles/topology-test.dir/atoms.cpp.o.d -o CMakeFiles/topology-test.dir/atoms.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/topology/tests/atoms.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 77%] Built target pbcutil-test
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 /usr/bin/make  -f src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build.make src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pulling/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pulling/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 77%] Built target timing-test
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/simd/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/simd/tests/CMakeFiles/simd-test.dir/DependInfo.cmake "--color="
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 78%] Built target pull-test
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/math/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/math/tests/CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 78%] Built target random-test
+[ 78%] Built target table-test
 /usr/bin/make  -f src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build.make src/gromacs/compat/tests/CMakeFiles/compat-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/compat/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/compat/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/compat/tests/CMakeFiles/compat-test.dir/DependInfo.cmake "--color="
@@ -224761,18 +224667,11 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/compat/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/compat/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/compat/tests/CMakeFiles/compat-test.dir/mp11.cpp.o -MF CMakeFiles/compat-test.dir/mp11.cpp.o.d -o CMakeFiles/compat-test.dir/mp11.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/compat/tests/mp11.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/simd/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/scalar.cpp.o -MF CMakeFiles/simd-test.dir/scalar.cpp.o.d -o CMakeFiles/simd-test.dir/scalar.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/scalar.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/pulling/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pull-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/simd/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/scalar_util.cpp.o -MF CMakeFiles/simd-test.dir/scalar_util.cpp.o.d -o CMakeFiles/simd-test.dir/scalar_util.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/scalar_util.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tables/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/table-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pull-test.dir/link.d "CMakeFiles/pull-test.dir/pull.cpp.o" "CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../CMakeFiles/pulling.dir/output.cpp.o ../CMakeFiles/pulling.dir/pull.cpp.o ../CMakeFiles/pulling.dir/pull_rotation.cpp.o ../CMakeFiles/pulling.dir/pullcoordexpressionparser.cpp.o ../CMakeFiles/pulling.dir/pullutil.cpp.o ../CMakeFiles/pulling.dir/transformationcoordinate.cpp.o -o ../../../../bin/pull-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm ../../../../lib/libgtest.so.1.13.0 /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a /usr/lib/aarch64-linux-gnu/libmuparser.so.2.3.4
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 80%] Built target pull-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/topology/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/topology/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/topology/tests/CMakeFiles/topology-test.dir/symtab.cpp.o -MF CMakeFiles/topology-test.dir/symtab.cpp.o.d -o CMakeFiles/topology-test.dir/symtab.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/topology/tests/symtab.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/compat/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/compat/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/compat/tests/CMakeFiles/compat-test.dir/pointers.cpp.o -MF CMakeFiles/compat-test.dir/pointers.cpp.o.d -o CMakeFiles/compat-test.dir/pointers.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/compat/tests/pointers.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/simd/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/scalar_math.cpp.o -MF CMakeFiles/simd-test.dir/scalar_math.cpp.o.d -o CMakeFiles/simd-test.dir/scalar_math.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/scalar_math.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/compat/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/compat/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/compat/tests/CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/table-test.dir/link.d "CMakeFiles/table-test.dir/splinetable.cpp.o" "CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/table-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 80%] Built target table-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/random/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/random/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/random/tests/CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/random/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/random-test.dir/link.txt --verbose=1
 /usr/bin/make  -f src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/build.make src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxana/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxana/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/DependInfo.cmake "--color="
@@ -224780,9 +224679,11 @@
 /usr/bin/make  -f src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/build.make src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxana/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxana/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/entropy.cpp.o -MF CMakeFiles/gmxana-test.dir/entropy.cpp.o.d -o CMakeFiles/gmxana-test.dir/entropy.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxana/tests/entropy.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/simd/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd.cpp.o -MF CMakeFiles/simd-test.dir/simd.cpp.o.d -o CMakeFiles/simd-test.dir/simd.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/topology/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/topology/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/topology/tests/CMakeFiles/topology-test.dir/topsort.cpp.o -MF CMakeFiles/topology-test.dir/topsort.cpp.o.d -o CMakeFiles/topology-test.dir/topsort.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/topology/tests/topsort.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/topology/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/topology/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/topology/tests/CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/compat/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/compat/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/compat/tests/CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/random-test.dir/link.d "CMakeFiles/random-test.dir/exponentialdistribution.cpp.o" "CMakeFiles/random-test.dir/gammadistribution.cpp.o" "CMakeFiles/random-test.dir/normaldistribution.cpp.o" "CMakeFiles/random-test.dir/seed.cpp.o" "CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o" "CMakeFiles/random-test.dir/threefry.cpp.o" "CMakeFiles/random-test.dir/uniformintdistribution.cpp.o" "CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o" "CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/random-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 80%] Built target random-test
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/DependInfo.cmake "--color="
@@ -224790,30 +224691,44 @@
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/convparm.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/convparm.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/convparm.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/convparm.cpp
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 80%] Built target options-test
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/genconf.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/genconf.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/genconf.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/genconf.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/genion.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxana/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxana/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/gmx_mindist.cpp.o -MF CMakeFiles/gmxana-test.dir/gmx_mindist.cpp.o.d -o CMakeFiles/gmxana-test.dir/gmx_mindist.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxana/tests/gmx_mindist.cpp
+/usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests && /usr/bin/mpicxx -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=0 -DGROMOS=1 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o -MF CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o.d -o CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/topology/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/topology-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/options/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/options-test.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 80%] Built target topology-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests && /usr/bin/mpicxx -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=0 -DGROMOS=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DOPLSAA=1 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/options-test.dir/link.d "CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o" "CMakeFiles/options-test.dir/filenameoption.cpp.o" "CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o" "CMakeFiles/options-test.dir/option.cpp.o" "CMakeFiles/options-test.dir/optionsassigner.cpp.o" "CMakeFiles/options-test.dir/repeatingsection.cpp.o" "CMakeFiles/options-test.dir/timeunitmanager.cpp.o" "CMakeFiles/options-test.dir/treesupport.cpp.o" "CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/options-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 80%] Built target options-test
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/DependInfo.cmake "--color="
@@ -224821,9 +224736,11 @@
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests && /usr/bin/mpicxx -DAMBER=1 -DCHARMM=1 -DGMX_DOUBLE=0 -DGROMOS=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/pdb2gmx.cpp.o -MF CMakeFiles/pdb2gmx3-test.dir/pdb2gmx.cpp.o.d -o CMakeFiles/pdb2gmx3-test.dir/pdb2gmx.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/correlationfunctions/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/correlationfunctions/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/DependInfo.cmake "--color="
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/correlationfunctions/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/autocorr.cpp.o -MF CMakeFiles/correlations-test.dir/autocorr.cpp.o.d -o CMakeFiles/correlations-test.dir/autocorr.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/correlationfunctions/tests/autocorr.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/correlationfunctions/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/expfit.cpp.o -MF CMakeFiles/correlations-test.dir/expfit.cpp.o.d -o CMakeFiles/correlations-test.dir/expfit.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/correlationfunctions/tests/expfit.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/topology/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/topology-test.dir/link.txt --verbose=1
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 80%] Built target topology-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxana/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxana/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxana/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxana-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests && /usr/bin/mpicxx -DAMBER=1 -DCHARMM=1 -DGMX_DOUBLE=0 -DGROMOS=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/pdb2gmx3-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/pdb2gmx3-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/gen_maxwell_velocities.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/gen_maxwell_velocities.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/gen_maxwell_velocities.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/gen_maxwell_velocities.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/simd/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd_math.cpp.o -MF CMakeFiles/simd-test.dir/simd_math.cpp.o.d -o CMakeFiles/simd-test.dir/simd_math.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_math.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/gpp_atomtype.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/gpp_atomtype.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/gpp_atomtype.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/gpp_atomtype.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/correlationfunctions/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/correlations-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/correlations-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests && /usr/bin/mpicxx -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=0 -DGROMOS=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DOPLSAA=1 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx2-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/correlationfunctions/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/correlations-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pdb2gmx2-test.dir/link.d "CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o" "CMakeFiles/pdb2gmx2-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/pdb2gmx2-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/genrestr.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/genrestr.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/genrestr.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/genrestr.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/coordinateio/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/builder.cpp.o -MF CMakeFiles/coordinateio-test.dir/builder.cpp.o.d -o CMakeFiles/coordinateio-test.dir/builder.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/builder.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxana/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxana-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx1-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gmxana-test.dir/link.d "CMakeFiles/gmxana-test.dir/entropy.cpp.o" "CMakeFiles/gmxana-test.dir/gmx_chi.cpp.o" "CMakeFiles/gmxana-test.dir/gmx_mindist.cpp.o" "CMakeFiles/gmxana-test.dir/gmx_traj.cpp.o" "CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/gmxana-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 80%] Built target gmxana-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/coordinateio/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o -MF CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o.d -o CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/outputadaptercontainer.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 81%] Built target pdb2gmx1-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/coordinateio/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/outputadapters.cpp.o -MF CMakeFiles/coordinateio-test.dir/outputadapters.cpp.o.d -o CMakeFiles/coordinateio-test.dir/outputadapters.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/outputadapters.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/analysisdata/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -MD -MT src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/mock_datamodule.cpp.o -MF CMakeFiles/analysisdata-test-shared.dir/mock_datamodule.cpp.o.d -o CMakeFiles/analysisdata-test-shared.dir/mock_datamodule.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/analysisdata/tests/mock_datamodule.cpp
+/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_math.cpp: In static member function 'static std::vector<float, std::allocator<float> > gmx::test::SimdMathTest::generateTestPoints(Range, std::size_t)':
+/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_math.cpp:182:19: note: parameter passing for argument of type 'std::pair<float, float>' when C++17 is enabled changed to match C++14 in GCC 10.1
+  182 | std::vector<real> SimdMathTest::generateTestPoints(Range inputRange, std::size_t inputPoints)
+      |                   ^~~~~~~~~~~~
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/correlationfunctions/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/correlationdataset.cpp.o -MF CMakeFiles/correlations-test.dir/correlationdataset.cpp.o.d -o CMakeFiles/correlations-test.dir/correlationdataset.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/correlationfunctions/tests/correlationdataset.cpp
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-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/coordinateio/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/coordinateio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/register.cpp.o -MF CMakeFiles/coordinateio-test.dir/register.cpp.o.d -o CMakeFiles/coordinateio-test.dir/register.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/coordinateio/tests/register.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/correlationfunctions/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/expfit.cpp.o -MF CMakeFiles/correlations-test.dir/expfit.cpp.o.d -o CMakeFiles/correlations-test.dir/expfit.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/correlationfunctions/tests/expfit.cpp
+/usr/bin/make  -f src/gromacs/tools/tests/CMakeFiles/tool-test.dir/build.make src/gromacs/tools/tests/CMakeFiles/tool-test.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/tools/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests/CMakeFiles/tool-test.dir/DependInfo.cmake "--color="
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/tools/tests/CMakeFiles/tool-test.dir/dump.cpp.o -MF CMakeFiles/tool-test.dir/dump.cpp.o.d -o CMakeFiles/tool-test.dir/dump.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/tools/tests/dump.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/tools/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests/CMakeFiles/tool-test-with-leaks.dir/DependInfo.cmake "--color="
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 /usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pdb2gmx3-test.dir/link.d "CMakeFiles/pdb2gmx3-test.dir/pdb2gmx.cpp.o" "CMakeFiles/pdb2gmx3-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/pdb2gmx3-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 [ 81%] Built target pdb2gmx3-test
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 81%] Built target tool-test-with-leaks
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 81%] Built target tool-test-with-leaks
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/selection/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/selection/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/selection/tests/CMakeFiles/selection-test.dir/DependInfo.cmake "--color="
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 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/compressed_x_output.cpp.o -MF CMakeFiles/mdrun-output-test.dir/compressed_x_output.cpp.o.d -o CMakeFiles/mdrun-output-test.dir/compressed_x_output.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/compressed_x_output.cpp
-/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_math.cpp: In static member function 'static std::vector<float, std::allocator<float> > gmx::test::SimdMathTest::generateTestPoints(Range, std::size_t)':
-/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd_math.cpp:182:19: note: parameter passing for argument of type 'std::pair<float, float>' when C++17 is enabled changed to match C++14 in GCC 10.1
-  182 | std::vector<real> SimdMathTest::generateTestPoints(Range inputRange, std::size_t inputPoints)
-      |                   ^~~~~~~~~~~~
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/gpp_bond_atomtype.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/gpp_bond_atomtype.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/gpp_bond_atomtype.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/gpp_bond_atomtype.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/helpwriting.cpp.o -MF CMakeFiles/mdrun-output-test.dir/helpwriting.cpp.o.d -o CMakeFiles/mdrun-output-test.dir/helpwriting.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/helpwriting.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/grompp_directives.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/grompp_directives.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/grompp_directives.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/grompp_directives.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/solvate.cpp.o -MF CMakeFiles/gmxpreprocess-test.dir/solvate.cpp.o.d -o CMakeFiles/gmxpreprocess-test.dir/solvate.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/gmxpreprocess/tests/solvate.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/mimic.cpp.o -MF CMakeFiles/mdrun-modules-test.dir/mimic.cpp.o.d -o CMakeFiles/mdrun-modules-test.dir/mimic.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/mimic.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/simd/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/simd/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/simd/tests/CMakeFiles/simd-test.dir/simd4.cpp.o -MF CMakeFiles/simd-test.dir/simd4.cpp.o.d -o CMakeFiles/simd-test.dir/simd4.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/simd/tests/simd4.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-output-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-output-test.dir/link.d "CMakeFiles/mdrun-output-test.dir/compressed_x_output.cpp.o" "CMakeFiles/mdrun-output-test.dir/helpwriting.cpp.o" "CMakeFiles/mdrun-output-test.dir/outputfiles.cpp.o" "CMakeFiles/mdrun-output-test.dir/trajectory_writing.cpp.o" "CMakeFiles/mdrun-output-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-output-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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-[ 84%] Built target mdrun-output-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gmxpreprocess-test.dir/link.d "CMakeFiles/gmxpreprocess-test.dir/convparm.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/editconf.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/genconf.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/genrestr.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/gen_maxwell_velocities.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/gpp_atomtype.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/gpp_bond_atomtype.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/grompp_directives.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/insert_molecules.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/massrepartitioning.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/readir.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/solvate.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/topdirs.cpp.o" "CMakeFiles/gmxpreprocess-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/gmxpreprocess-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 85%] Built target gmxpreprocess-test
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 85%] Built target simd-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/multiple_time_stepping.cpp.o -MF CMakeFiles/mdrun-test.dir/multiple_time_stepping.cpp.o.d -o CMakeFiles/mdrun-test.dir/multiple_time_stepping.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/multiple_time_stepping.cpp
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 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/DependInfo.cmake "--color="
@@ -225042,29 +224948,29 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/dispersion_correction.cpp.o -MF CMakeFiles/mdrun-single-rank-algorithms-test.dir/dispersion_correction.cpp.o.d -o CMakeFiles/mdrun-single-rank-algorithms-test.dir/dispersion_correction.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/dispersion_correction.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/fileio/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/tngio.cpp.o -MF CMakeFiles/fileio-test.dir/tngio.cpp.o.d -o CMakeFiles/fileio-test.dir/tngio.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/tests/tngio.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/coordinateio/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/coordinateio-test.dir/link.txt --verbose=1
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-output-test.dir/link.txt --verbose=1
 /usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/coordinateio-test.dir/link.d "CMakeFiles/coordinateio-test.dir/builder.cpp.o" "CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o" "CMakeFiles/coordinateio-test.dir/outputadapters.cpp.o" "CMakeFiles/coordinateio-test.dir/register.cpp.o" "CMakeFiles/coordinateio-test.dir/requirements.cpp.o" "CMakeFiles/coordinateio-test.dir/setatoms.cpp.o" "CMakeFiles/coordinateio-test.dir/setbothtime.cpp.o" "CMakeFiles/coordinateio-test.dir/setstarttime.cpp.o" "CMakeFiles/coordinateio-test.dir/settimestep.cpp.o" "CMakeFiles/coordinateio-test.dir/testmodule.cpp.o" "CMakeFiles/coordinateio-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/coordinateio-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 85%] Built target coordinateio-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/fileio/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-modules-test.dir/link.d "CMakeFiles/mdrun-modules-test.dir/densityfittingmodule.cpp.o" "CMakeFiles/mdrun-modules-test.dir/interactiveMD.cpp.o" "CMakeFiles/mdrun-modules-test.dir/mimic.cpp.o" "CMakeFiles/mdrun-modules-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-modules-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+[ 86%] Built target coordinateio-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/fileio/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o -MF CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o.d -o CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/tests/mrcdensitymap.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/swapcoords.cpp.o -MF CMakeFiles/mdrun-test.dir/swapcoords.cpp.o.d -o CMakeFiles/mdrun-test.dir/swapcoords.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/swapcoords.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o -MF CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o.d -o CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/tabulated_bonded_interactions.cpp
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-output-test.dir/link.d "CMakeFiles/mdrun-output-test.dir/compressed_x_output.cpp.o" "CMakeFiles/mdrun-output-test.dir/helpwriting.cpp.o" "CMakeFiles/mdrun-output-test.dir/outputfiles.cpp.o" "CMakeFiles/mdrun-output-test.dir/trajectory_writing.cpp.o" "CMakeFiles/mdrun-output-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-output-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 85%] Built target mdrun-modules-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/exactcontinuation.cpp.o -MF CMakeFiles/mdrun-io-test.dir/exactcontinuation.cpp.o.d -o CMakeFiles/mdrun-io-test.dir/exactcontinuation.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/exactcontinuation.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/grompp.cpp.o -MF CMakeFiles/mdrun-io-test.dir/grompp.cpp.o.d -o CMakeFiles/mdrun-io-test.dir/grompp.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/grompp.cpp
+[ 86%] Built target mdrun-output-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/freezegroups.cpp.o -MF CMakeFiles/mdrun-test.dir/freezegroups.cpp.o.d -o CMakeFiles/mdrun-test.dir/freezegroups.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/freezegroups.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/ewaldsurfaceterm.cpp.o -MF CMakeFiles/mdrun-single-rank-algorithms-test.dir/ewaldsurfaceterm.cpp.o.d -o CMakeFiles/mdrun-single-rank-algorithms-test.dir/ewaldsurfaceterm.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/ewaldsurfaceterm.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-modules-test.dir/link.txt --verbose=1
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+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-modules-test.dir/link.d "CMakeFiles/mdrun-modules-test.dir/densityfittingmodule.cpp.o" "CMakeFiles/mdrun-modules-test.dir/interactiveMD.cpp.o" "CMakeFiles/mdrun-modules-test.dir/mimic.cpp.o" "CMakeFiles/mdrun-modules-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-modules-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 86%] Built target gmxpreprocess-test
+[ 86%] Built target mdrun-modules-test
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-single-rank-algorithms-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-single-rank-algorithms-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-single-rank-algorithms-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 86%] Built target simd-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/DependInfo.cmake "--color="
@@ -225085,21 +224990,20 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/nonbonded_bench.cpp.o -MF CMakeFiles/mdrun-non-integrator-test.dir/nonbonded_bench.cpp.o.d -o CMakeFiles/mdrun-non-integrator-test.dir/nonbonded_bench.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/nonbonded_bench.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/fileio/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/tngio.cpp.o -MF CMakeFiles/fileio-test.dir/tngio.cpp.o.d -o CMakeFiles/fileio-test.dir/tngio.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/tests/tngio.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/initialconstraints.cpp.o -MF CMakeFiles/mdrun-io-test.dir/initialconstraints.cpp.o.d -o CMakeFiles/mdrun-io-test.dir/initialconstraints.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/initialconstraints.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-single-rank-algorithms-test.dir/link.txt --verbose=1
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o -MF CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o.d -o CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/tpitest.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/selection/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/selection-test.dir/link.txt --verbose=1
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+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-single-rank-algorithms-test.dir/link.d "CMakeFiles/mdrun-single-rank-algorithms-test.dir/dispersion_correction.cpp.o" "CMakeFiles/mdrun-single-rank-algorithms-test.dir/ewaldsurfaceterm.cpp.o" "CMakeFiles/mdrun-single-rank-algorithms-test.dir/orires.cpp.o" "CMakeFiles/mdrun-single-rank-algorithms-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-single-rank-algorithms-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 88%] Built target selection-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o -MF CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o.d -o CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/tpitest.cpp
+[ 88%] Built target mdrun-single-rank-algorithms-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/DependInfo.cmake "--color="
@@ -225107,9 +225011,20 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/domain_decomposition.cpp.o -MF CMakeFiles/mdrun-mpi-test.dir/domain_decomposition.cpp.o.d -o CMakeFiles/mdrun-mpi-test.dir/domain_decomposition.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/domain_decomposition.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o -MF CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o.d -o CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/mimic.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/termination.cpp.o -MF CMakeFiles/mdrun-io-test.dir/termination.cpp.o.d -o CMakeFiles/mdrun-io-test.dir/termination.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/termination.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/selection/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/selection-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/selection-test.dir/link.d "CMakeFiles/selection-test.dir/indexutil.cpp.o" "CMakeFiles/selection-test.dir/nbsearch.cpp.o" "CMakeFiles/selection-test.dir/poscalc.cpp.o" "CMakeFiles/selection-test.dir/selectioncollection.cpp.o" "CMakeFiles/selection-test.dir/selectionoption.cpp.o" "CMakeFiles/selection-test.dir/toputils.cpp.o" "CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/selection-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 89%] Built target mdrun-single-rank-algorithms-test
+[ 89%] Built target selection-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o -MF CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o.d -o CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/rerun.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o -MF CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o.d -o CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/simple_mdrun.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/fileio/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/fileio/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -Wno-cast-function-type-strict -MD -MT src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-test.dir/DependInfo.cmake "--color="
@@ -225118,10 +225033,9 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-test.dir/multisim.cpp.o -MF CMakeFiles/mdrun-multisim-test.dir/multisim.cpp.o.d -o CMakeFiles/mdrun-multisim-test.dir/multisim.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/multisim.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-io-test.dir/link.txt --verbose=1
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+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-tpi-test.dir/link.d "CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o" "CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-tpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 89%] Built target mdrun-io-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o -MF CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o.d -o CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/rerun.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o -MF CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o.d -o CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/simple_mdrun.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/constantacceleration.cpp.o -MF CMakeFiles/mdrun-test.dir/constantacceleration.cpp.o.d -o CMakeFiles/mdrun-test.dir/constantacceleration.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/constantacceleration.cpp
+[ 89%] Built target mdrun-tpi-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/DependInfo.cmake "--color="
@@ -225148,22 +225053,9 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/multisimtest.cpp.o -MF CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/multisimtest.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/multisimtest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/multisimtest.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-test.dir/replicaexchange.cpp.o -MF CMakeFiles/mdrun-multisim-replex-test.dir/replicaexchange.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-test.dir/replicaexchange.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/replicaexchange.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-tpi-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/minimize-test.dir/link.d "CMakeFiles/minimize-test.dir/minimize.cpp.o" "CMakeFiles/minimize-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/minimize-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 89%] Built target minimize-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/boxdeformation.cpp.o -MF CMakeFiles/mdrun-test.dir/boxdeformation.cpp.o.d -o CMakeFiles/mdrun-test.dir/boxdeformation.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/boxdeformation.cpp
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-tpi-test.dir/link.d "CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o" "CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-tpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-test.dir/link.d "CMakeFiles/mdrun-test.dir/multiple_time_stepping.cpp.o" "CMakeFiles/mdrun-test.dir/swapcoords.cpp.o" "CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o" "CMakeFiles/mdrun-test.dir/freezegroups.cpp.o" "CMakeFiles/mdrun-test.dir/constantacceleration.cpp.o" "CMakeFiles/mdrun-test.dir/boxdeformation.cpp.o" "CMakeFiles/mdrun-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 89%] Built target mdrun-tpi-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-multisim-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-multisim-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/replicaexchange_equivalence.cpp.o -MF CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/replicaexchange_equivalence.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/replicaexchange_equivalence.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/replicaexchange_equivalence.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-multisim-replex-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+[ 89%] Built target mdrun-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/DependInfo.cmake "--color="
@@ -225171,8 +225063,9 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/pmetest.cpp.o -MF CMakeFiles/mdrun-mpi-pme-test.dir/pmetest.cpp.o.d -o CMakeFiles/mdrun-mpi-pme-test.dir/pmetest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/pmetest.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-multisim-test.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 89%] Built target minimize-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/DependInfo.cmake "--color="
@@ -225180,9 +225073,20 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions.cpp.o -MF CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions.cpp.o.d -o CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o -MF CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o.d -o CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions_basic.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-io-test.dir/link.d "CMakeFiles/mdrun-io-test.dir/checkpoint.cpp.o" "CMakeFiles/mdrun-io-test.dir/exactcontinuation.cpp.o" "CMakeFiles/mdrun-io-test.dir/grompp.cpp.o" "CMakeFiles/mdrun-io-test.dir/initialconstraints.cpp.o" "CMakeFiles/mdrun-io-test.dir/termination.cpp.o" "CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-io-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-multisim-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-multisim-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-multisim-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+[ 89%] Built target mdrun-io-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-pme-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-mpi-pme-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-mpi-pme-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fileio-test.dir/link.d "CMakeFiles/fileio-test.dir/checkpoint.cpp.o" "CMakeFiles/fileio-test.dir/confio.cpp.o" "CMakeFiles/fileio-test.dir/filemd5.cpp.o" "CMakeFiles/fileio-test.dir/filetypes.cpp.o" "CMakeFiles/fileio-test.dir/matio.cpp.o" "CMakeFiles/fileio-test.dir/mrcserializer.cpp.o" "CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o" "CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o" "CMakeFiles/fileio-test.dir/readinp.cpp.o" "CMakeFiles/fileio-test.dir/timecontrol.cpp.o" "CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o" "CMakeFiles/fileio-test.dir/tngio.cpp.o" "CMakeFiles/fileio-test.dir/xvgio.cpp.o" "CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/fileio-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 ../../../../lib/libgmock.so.1.13.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 89%] Built target mdrun-multisim-test
+[ 89%] Built target fileio-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/DependInfo.cmake "--color="
@@ -225190,14 +225094,15 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions.cpp.o -MF CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions.cpp.o.d -o CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o -MF CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o.d -o CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions_coupling.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o -MF CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o.d -o CMakeFiles/mdrun-coordination-coupling-test.dir/periodicactions_coupling.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions_coupling.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-coupling-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-coordination-coupling-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-coordination-coupling-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/DependInfo.cmake "--color="
@@ -225205,9 +225110,9 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions.cpp.o -MF CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions.cpp.o.d -o CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions_constraints.cpp.o -MF CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions_constraints.cpp.o.d -o CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions_constraints.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions_constraints.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-multisim-replex-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-non-integrator-test.dir/link.d "CMakeFiles/mdrun-non-integrator-test.dir/nonbonded_bench.cpp.o" "CMakeFiles/mdrun-non-integrator-test.dir/normalmodes.cpp.o" "CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o" "CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o" "CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-non-integrator-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 90%] Built target mdrun-non-integrator-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/DependInfo.cmake "--color="
@@ -225215,18 +225120,6 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/expandedensemble.cpp.o -MF CMakeFiles/mdrun-fep-test.dir/expandedensemble.cpp.o.d -o CMakeFiles/mdrun-fep-test.dir/expandedensemble.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/expandedensemble.cpp
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-multisim-replex-test.dir/link.d "CMakeFiles/mdrun-multisim-replex-test.dir/multisimtest.cpp.o" "CMakeFiles/mdrun-multisim-replex-test.dir/replicaexchange.cpp.o" "CMakeFiles/mdrun-multisim-replex-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-multisim-replex-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 89%] Built target mdrun-multisim-replex-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/freeenergy.cpp.o -MF CMakeFiles/mdrun-fep-test.dir/freeenergy.cpp.o.d -o CMakeFiles/mdrun-fep-test.dir/freeenergy.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/freeenergy.cpp
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-test.dir/link.d "CMakeFiles/mdrun-test.dir/multiple_time_stepping.cpp.o" "CMakeFiles/mdrun-test.dir/swapcoords.cpp.o" "CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o" "CMakeFiles/mdrun-test.dir/freezegroups.cpp.o" "CMakeFiles/mdrun-test.dir/constantacceleration.cpp.o" "CMakeFiles/mdrun-test.dir/boxdeformation.cpp.o" "CMakeFiles/mdrun-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 89%] Built target mdrun-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-coordination-constraints-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-coordination-constraints-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-non-integrator-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-non-integrator-test.dir/link.d "CMakeFiles/mdrun-non-integrator-test.dir/nonbonded_bench.cpp.o" "CMakeFiles/mdrun-non-integrator-test.dir/normalmodes.cpp.o" "CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o" "CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o" "CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-non-integrator-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 90%] Built target mdrun-non-integrator-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/DependInfo.cmake "--color="
@@ -225234,12 +225127,6 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/pull.cpp.o -MF CMakeFiles/mdrun-pull-test.dir/pull.cpp.o.d -o CMakeFiles/mdrun-pull-test.dir/pull.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/pull.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-pull-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-pme-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-fep-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-fep-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-mpi-pme-test.dir/link.d "CMakeFiles/mdrun-mpi-pme-test.dir/pmetest.cpp.o" "CMakeFiles/mdrun-mpi-pme-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-mpi-pme-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 92%] Built target mdrun-mpi-pme-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-rotation-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-rotation-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/CMakeFiles/mdrun-rotation-test.dir/DependInfo.cmake "--color="
@@ -225247,7 +225134,28 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-rotation-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-rotation-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-rotation-test.dir/pull_rotation.cpp.o -MF CMakeFiles/mdrun-rotation-test.dir/pull_rotation.cpp.o.d -o CMakeFiles/mdrun-rotation-test.dir/pull_rotation.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/pull_rotation.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-multisim-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-pme-test.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 90%] Built target mdrun-multisim-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/freeenergy.cpp.o -MF CMakeFiles/mdrun-fep-test.dir/freeenergy.cpp.o.d -o CMakeFiles/mdrun-fep-test.dir/freeenergy.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/freeenergy.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 92%] Built target mdrun-mpi-pme-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions_constraints.cpp.o -MF CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions_constraints.cpp.o.d -o CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions_constraints.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/periodicactions_constraints.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-coordination-constraints-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-coordination-constraints-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-coordination-constraints-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-coordination-basic-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-coordination-basic-test.dir/link.d "CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions.cpp.o" "CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o" "CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-coordination-basic-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 92%] Built target mdrun-coordination-basic-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-pull-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-rotation-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-rotation-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-rotation-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-multisim-replex-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-fep-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-fep-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-fep-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-multisim-replex-test.dir/link.d "CMakeFiles/mdrun-multisim-replex-test.dir/multisimtest.cpp.o" "CMakeFiles/mdrun-multisim-replex-test.dir/replicaexchange.cpp.o" "CMakeFiles/mdrun-multisim-replex-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-multisim-replex-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 92%] Built target mdrun-multisim-replex-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-simulator-comparison-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-simulator-comparison-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/CMakeFiles/mdrun-simulator-comparison-test.dir/DependInfo.cmake "--color="
@@ -225255,10 +225163,8 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-simulator-comparison-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-simulator-comparison-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-simulator-comparison-test.dir/simulator.cpp.o -MF CMakeFiles/mdrun-simulator-comparison-test.dir/simulator.cpp.o.d -o CMakeFiles/mdrun-simulator-comparison-test.dir/simulator.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/simulator.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-coordination-basic-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-coordination-basic-test.dir/link.d "CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions.cpp.o" "CMakeFiles/mdrun-coordination-basic-test.dir/periodicactions_basic.cpp.o" "CMakeFiles/mdrun-coordination-basic-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-coordination-basic-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 92%] Built target mdrun-coordination-basic-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-coordination-coupling-test.dir/link.txt --verbose=1
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/DependInfo.cmake "--color="
@@ -225266,63 +225172,48 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/virtualsites.cpp.o -MF CMakeFiles/mdrun-vsites-test.dir/virtualsites.cpp.o.d -o CMakeFiles/mdrun-vsites-test.dir/virtualsites.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/mdrun/tests/virtualsites.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-coordination-coupling-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 93%] Built target mdrun-coordination-coupling-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-vsites-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-vsites-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+[ 93%] Built target mdrun-coordination-coupling-test
+/usr/bin/make  -f api/gmxapi/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/build.make api/gmxapi/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/DependInfo.cmake "--color="
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/restraint.cpp.o -MF CMakeFiles/gmxapi-test.dir/restraint.cpp.o.d -o CMakeFiles/gmxapi-test.dir/restraint.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/restraint.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/runner.cpp.o -MF CMakeFiles/gmxapi-test.dir/runner.cpp.o.d -o CMakeFiles/gmxapi-test.dir/runner.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/runner.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/status.cpp.o -MF CMakeFiles/gmxapi-test.dir/status.cpp.o.d -o CMakeFiles/gmxapi-test.dir/status.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/status.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-coordination-constraints-test.dir/link.txt --verbose=1
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 93%] Built target mdrun-coordination-constraints-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o -MF CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o.d -o CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/stopsignaler.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/system.cpp.o -MF CMakeFiles/gmxapi-test.dir/system.cpp.o.d -o CMakeFiles/gmxapi-test.dir/system.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/system.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/version.cpp.o -MF CMakeFiles/gmxapi-test.dir/version.cpp.o.d -o CMakeFiles/gmxapi-test.dir/version.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/version.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/gmxapi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/gmxapi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/restraint.cpp.o -MF CMakeFiles/gmxapi-mpi-test.dir/restraint.cpp.o.d -o CMakeFiles/gmxapi-mpi-test.dir/restraint.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/restraint.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/link.txt --verbose=1
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/programs/mdrun/tests/CMakeFiles/mdrun-vsites-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrun-vsites-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrun-vsites-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/status.cpp.o -MF CMakeFiles/gmxapi-mpi-test.dir/status.cpp.o.d -o CMakeFiles/gmxapi-mpi-test.dir/status.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/status.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-simulator-comparison-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-simulator-comparison-test.dir/link.d "CMakeFiles/mdrun-simulator-comparison-test.dir/simulator.cpp.o" "CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-simulator-comparison-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-coordination-constraints-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/runner.cpp.o -MF CMakeFiles/gmxapi-test.dir/runner.cpp.o.d -o CMakeFiles/gmxapi-test.dir/runner.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/runner.cpp
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-coordination-constraints-test.dir/link.d "CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions.cpp.o" "CMakeFiles/mdrun-coordination-constraints-test.dir/periodicactions_constraints.cpp.o" "CMakeFiles/mdrun-coordination-constraints-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-coordination-constraints-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 93%] Built target mdrun-simulator-comparison-test
+[ 93%] Built target mdrun-coordination-constraints-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/status.cpp.o -MF CMakeFiles/gmxapi-test.dir/status.cpp.o.d -o CMakeFiles/gmxapi-test.dir/status.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/status.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-rotation-test.dir/link.txt --verbose=1
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-rotation-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-rotation-test.dir/link.d "CMakeFiles/mdrun-rotation-test.dir/pull_rotation.cpp.o" "CMakeFiles/mdrun-rotation-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-rotation-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 93%] Built target mdrun-rotation-test
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@@ -225330,19 +225221,19 @@
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-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-rotation-test.dir/link.d "CMakeFiles/mdrun-rotation-test.dir/pull_rotation.cpp.o" "CMakeFiles/mdrun-rotation-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-rotation-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 93%] Built target mdrun-rotation-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/restraint.cpp.o -MF CMakeFiles/gmxapi-mpi-test.dir/restraint.cpp.o.d -o CMakeFiles/gmxapi-mpi-test.dir/restraint.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/restraint.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/workflow/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/workflow/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integrator-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-integrator-test.dir/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-integrator-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-vsites-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-fep-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/system.cpp.o -MF CMakeFiles/gmxapi-mpi-test.dir/system.cpp.o.d -o CMakeFiles/gmxapi-mpi-test.dir/system.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/system.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/link.txt --verbose=1
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/workflow/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/workflow/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/workflow/tests/CMakeFiles/workflow-details-mpi-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/workflow-details-mpi-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/workflow-details-mpi-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gmxapi-test.dir/link.d "CMakeFiles/gmxapi-test.dir/restraint.cpp.o" "CMakeFiles/gmxapi-test.dir/runner.cpp.o" "CMakeFiles/gmxapi-test.dir/status.cpp.o" "CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o" "CMakeFiles/gmxapi-test.dir/system.cpp.o" "CMakeFiles/gmxapi-test.dir/version.cpp.o" "CMakeFiles/gmxapi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o" ../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/gmxapi-test  ../../../../lib/libtestutils.a ../../../../lib/libgmxapi_mpi.so.0.4.0 ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/link.d "CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/multisimtest.cpp.o" "CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/replicaexchange_equivalence.cpp.o" "CMakeFiles/mdrun-multisim-replex-equivalence-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-multisim-replex-equivalence-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 93%] Built target gmxapi-test
+[ 93%] Built target mdrun-multisim-replex-equivalence-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/runner.cpp.o -MF CMakeFiles/gmxapi-mpi-test.dir/runner.cpp.o.d -o CMakeFiles/gmxapi-mpi-test.dir/runner.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/runner.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integrator-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-integrator-test.dir/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-integrator-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/workflow/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/workflow-details-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/workflow-details-test.dir/link.d "CMakeFiles/workflow-details-test.dir/workflow.cpp.o" "CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o" ../../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../../bin/workflow-details-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgmxapi_mpi.so.0.4.0 ../../../../../lib/libmdrun_test_infrastructure.a ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgmock.so.1.13.0 ../../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 94%] Built target workflow-details-test
 /usr/bin/make  -f api/nblib/tests/CMakeFiles/nblib-setup-test.dir/build.make api/nblib/tests/CMakeFiles/nblib-setup-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests/CMakeFiles/nblib-setup-test.dir/DependInfo.cmake "--color="
@@ -225350,13 +225241,19 @@
 /usr/bin/make  -f api/nblib/tests/CMakeFiles/nblib-setup-test.dir/build.make api/nblib/tests/CMakeFiles/nblib-setup-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/box.cpp.o -MF CMakeFiles/nblib-setup-test.dir/box.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/box.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/box.cpp
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-vsites-test.dir/link.d "CMakeFiles/mdrun-vsites-test.dir/virtualsites.cpp.o" "CMakeFiles/mdrun-vsites-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-vsites-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o -MF CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o.d -o CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/stopsignaler.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/workflow/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/workflow-details-mpi-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/workflow-details-mpi-test.dir/link.d "CMakeFiles/workflow-details-mpi-test.dir/workflow.cpp.o" "CMakeFiles/workflow-details-mpi-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o" ../../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../../bin/workflow-details-mpi-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgmxapi_mpi.so.0.4.0 ../../../../../lib/libmdrun_test_infrastructure.a ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgmock.so.1.13.0 ../../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 93%] Built target mdrun-vsites-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/version.cpp.o -MF CMakeFiles/gmxapi-mpi-test.dir/version.cpp.o.d -o CMakeFiles/gmxapi-mpi-test.dir/version.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/version.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-test.dir/system.cpp.o -MF CMakeFiles/gmxapi-test.dir/system.cpp.o.d -o CMakeFiles/gmxapi-test.dir/system.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/system.cpp
+[ 94%] Built target workflow-details-mpi-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/status.cpp.o -MF CMakeFiles/gmxapi-mpi-test.dir/status.cpp.o.d -o CMakeFiles/gmxapi-mpi-test.dir/status.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests/status.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-simulator-comparison-test.dir/link.txt --verbose=1
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 /usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-fep-test.dir/link.d "CMakeFiles/mdrun-fep-test.dir/expandedensemble.cpp.o" "CMakeFiles/mdrun-fep-test.dir/freeenergy.cpp.o" "CMakeFiles/mdrun-fep-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-fep-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 93%] Built target mdrun-fep-test
+[ 94%] Built target mdrun-fep-test
 /usr/bin/make  -f api/nblib/tests/CMakeFiles/nblib-tpr-test.dir/build.make api/nblib/tests/CMakeFiles/nblib-tpr-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests/CMakeFiles/nblib-tpr-test.dir/DependInfo.cmake "--color="
@@ -225364,11 +225261,24 @@
 /usr/bin/make  -f api/nblib/tests/CMakeFiles/nblib-tpr-test.dir/build.make api/nblib/tests/CMakeFiles/nblib-tpr-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-tpr-test.dir/tpr.cpp.o -MF CMakeFiles/nblib-tpr-test.dir/tpr.cpp.o.d -o CMakeFiles/nblib-tpr-test.dir/tpr.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/tpr.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/workflow/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/workflow-details-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/workflow-details-test.dir/link.d "CMakeFiles/workflow-details-test.dir/workflow.cpp.o" "CMakeFiles/workflow-details-test.dir/__/__/__/__/__/src/testutils/unittest_main.cpp.o" ../../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../../bin/workflow-details-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgmxapi_mpi.so.0.4.0 ../../../../../lib/libmdrun_test_infrastructure.a ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgmock.so.1.13.0 ../../../../../lib/libgtest.so.1.13.0
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrun-simulator-comparison-test.dir/link.d "CMakeFiles/mdrun-simulator-comparison-test.dir/simulator.cpp.o" "CMakeFiles/mdrun-simulator-comparison-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-simulator-comparison-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 94%] Built target workflow-details-test
+[ 94%] Built target mdrun-simulator-comparison-test
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 94%] Built target mdrun-pull-test
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 94%] Built target mdrun-vsites-test
 /usr/bin/make  -f api/nblib/tests/CMakeFiles/nblib-integration-test.dir/build.make api/nblib/tests/CMakeFiles/nblib-integration-test.dir/depend
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 94%] Built target mdrun-pull-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/virials.cpp.o -MF CMakeFiles/nblib-setup-test.dir/virials.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/virials.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/virials.cpp
+[ 94%] Built target gmxapi-test
 /usr/bin/make  -f api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/build.make api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/DependInfo.cmake "--color="
@@ -225397,14 +225303,27 @@
 /usr/bin/make  -f api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/build.make api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/bondtypes.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/bondtypes.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/bondtypes.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/bondtypes.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/gmxcalculator.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/gmxcalculator.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/gmxcalculator.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/gmxcalculator.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/helpers.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/helpers.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/helpers.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/helpers.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/gmxapi/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/cpp/tests -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/gmxapi/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/gmxapi/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/gmxapi-mpi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/gmxapi-mpi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/molecules.cpp.o -MF CMakeFiles/nblib-setup-test.dir/molecules.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/molecules.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/molecules.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-integrator-test.dir/link.txt --verbose=1
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-tpr-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-integrator-test.dir/link.d "CMakeFiles/nblib-integrator-test.dir/integrator.cpp.o" "CMakeFiles/nblib-integrator-test.dir/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../bin/nblib-integrator-test  ../../../lib/libtestutils.a ../../../lib/libnblib_test_infrastructure.a ../../../lib/libnblib_gmx.so.0.1.0 ../../../lib/libtestutils.a ../../../lib/libgmock.so.1.13.0 ../../../lib/libgtest.so.1.13.0 ../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 94%] Built target nblib-integrator-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integration-test.dir/nbkernelsystem.cpp.o -MF CMakeFiles/nblib-integration-test.dir/nbkernelsystem.cpp.o.d -o CMakeFiles/nblib-integration-test.dir/nbkernelsystem.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/nbkernelsystem.cpp
 /usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-tpr-test.dir/link.d "CMakeFiles/nblib-tpr-test.dir/tpr.cpp.o" "CMakeFiles/nblib-tpr-test.dir/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../bin/nblib-tpr-test  ../../../lib/libtestutils.a ../../../lib/libmdrun_test_infrastructure.a ../../../lib/libnblib_test_infrastructure.a ../../../lib/libnblib_gmx.so.0.1.0 ../../../lib/libtestutils.a ../../../lib/libgmock.so.1.13.0 ../../../lib/libgtest.so.1.13.0 ../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 [ 94%] Built target nblib-tpr-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/gmxcalculator.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/gmxcalculator.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/gmxcalculator.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/gmxcalculator.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/helpers.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/helpers.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/helpers.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/helpers.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integration-test.dir/simstate.cpp.o -MF CMakeFiles/nblib-integration-test.dir/simstate.cpp.o.d -o CMakeFiles/nblib-integration-test.dir/simstate.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/simstate.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/listedtesthelpers.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-integration-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-integration-test.dir/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-integration-test.dir/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi-mpi-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gmxapi-mpi-test.dir/link.d "CMakeFiles/gmxapi-mpi-test.dir/context.cpp.o" "CMakeFiles/gmxapi-mpi-test.dir/restraint.cpp.o" "CMakeFiles/gmxapi-mpi-test.dir/runner.cpp.o" "CMakeFiles/gmxapi-mpi-test.dir/status.cpp.o" "CMakeFiles/gmxapi-mpi-test.dir/stopsignaler.cpp.o" "CMakeFiles/gmxapi-mpi-test.dir/system.cpp.o" "CMakeFiles/gmxapi-mpi-test.dir/version.cpp.o" "CMakeFiles/gmxapi-mpi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o" ../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/gmxapi-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libgmxapi_mpi.so.0.4.0 ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 94%] Built target gmxapi-mpi-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/kernels.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/kernels.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/kernels.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/kernels.cpp
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 /usr/bin/make  -f api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/build.make api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib/util/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/util/tests /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/DependInfo.cmake "--color="
@@ -225412,8 +225331,8 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/util/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/util/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/util/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/setup.cpp.o -MF CMakeFiles/nblib-util-test.dir/setup.cpp.o.d -o CMakeFiles/nblib-util-test.dir/setup.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/util/tests/setup.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi-mpi-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/listedtesthelpers.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/calculator.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/calculator.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/calculator.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/calculator.cpp
 /usr/bin/make  -f src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/build.make src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/plumed/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/plumed/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/DependInfo.cmake "--color="
@@ -225422,10 +225341,8 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/plumed/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/plumed/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/plumed/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/plumed_md_test.cpp.o -MF CMakeFiles/plumed_md-test.dir/plumed_md_test.cpp.o.d -o CMakeFiles/plumed_md-test.dir/plumed_md_test.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/plumed/tests/plumed_md_test.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/plumed/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/plumed/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/plumed/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/plumedTestUtils.cpp.o -MF CMakeFiles/plumed_md-test.dir/plumedTestUtils.cpp.o.d -o CMakeFiles/plumed_md-test.dir/plumedTestUtils.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/plumed/tests/plumedTestUtils.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/nbnxmsetup.cpp.o -MF CMakeFiles/nblib-setup-test.dir/nbnxmsetup.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/nbnxmsetup.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/nbnxmsetup.cpp
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gmxapi-mpi-test.dir/link.d "CMakeFiles/gmxapi-mpi-test.dir/context.cpp.o" "CMakeFiles/gmxapi-mpi-test.dir/restraint.cpp.o" "CMakeFiles/gmxapi-mpi-test.dir/runner.cpp.o" "CMakeFiles/gmxapi-mpi-test.dir/status.cpp.o" "CMakeFiles/gmxapi-mpi-test.dir/stopsignaler.cpp.o" "CMakeFiles/gmxapi-mpi-test.dir/system.cpp.o" "CMakeFiles/gmxapi-mpi-test.dir/version.cpp.o" "CMakeFiles/gmxapi-mpi-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o" ../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../src/programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/gmxapi-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libgmxapi_mpi.so.0.4.0 ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 94%] Built target gmxapi-mpi-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/util/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/util/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/util/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-util-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-util-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/conversions.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/conversions.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/conversions.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/conversions.cpp
 /usr/bin/make  -f src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build.make src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/commandline/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/DependInfo.cmake "--color="
@@ -225433,26 +225350,7 @@
 /usr/bin/make  -f src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build.make src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/commandline/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o -MF CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o.d -o CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/cmdlinehelpmodule.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-integration-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-integrator-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/commandline/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o -MF CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o.d -o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/cmdlinehelpwriter.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/commandline/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o -MF CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o.d -o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/cmdlinemodulemanager.cpp
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-integration-test.dir/link.d "CMakeFiles/nblib-integration-test.dir/gmxcalculator.cpp.o" "CMakeFiles/nblib-integration-test.dir/nbkernelsystem.cpp.o" "CMakeFiles/nblib-integration-test.dir/simstate.cpp.o" "CMakeFiles/nblib-integration-test.dir/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../bin/nblib-integration-test  ../../../lib/libtestutils.a ../../../lib/libnblib_test_infrastructure.a ../../../lib/libnblib_gmx.so.0.1.0 ../../../lib/libtestutils.a ../../../lib/libgmock.so.1.13.0 ../../../lib/libgtest.so.1.13.0 ../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 96%] Built target nblib-integration-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/util/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/util/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/util/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/traits.cpp.o -MF CMakeFiles/nblib-util-test.dir/traits.cpp.o.d -o CMakeFiles/nblib-util-test.dir/traits.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/util/tests/traits.cpp
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-integrator-test.dir/link.d "CMakeFiles/nblib-integrator-test.dir/integrator.cpp.o" "CMakeFiles/nblib-integrator-test.dir/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../bin/nblib-integrator-test  ../../../lib/libtestutils.a ../../../lib/libnblib_test_infrastructure.a ../../../lib/libnblib_gmx.so.0.1.0 ../../../lib/libtestutils.a ../../../lib/libgmock.so.1.13.0 ../../../lib/libgtest.so.1.13.0 ../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 96%] Built target nblib-integrator-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/util/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/util/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/util/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/util/tests/CMakeFiles/nblib-util-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -MF CMakeFiles/nblib-util-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o.d -o CMakeFiles/nblib-util-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/topology.cpp.o -MF CMakeFiles/nblib-setup-test.dir/topology.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/topology.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/topology.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/kernels.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/kernels.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/kernels.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/kernels.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/plumed/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/plumed/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/plumed/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/applied_forces/plumed/tests/CMakeFiles/plumed_md-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/plumed_md-test.dir/__/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/plumed_md-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 96%] Built target nblib-util-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/util/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-util-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-integration-test.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o -MF CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o.d -o CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/tests/threadaffinity.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/tests/CMakeFiles/nblib-setup-test.dir/virials.cpp.o -MF CMakeFiles/nblib-setup-test.dir/virials.cpp.o.d -o CMakeFiles/nblib-setup-test.dir/virials.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/tests/virials.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/commandline/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o -MF CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o.d -o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/cmdlineparser.cpp
+[ 94%] Built target nblib-util-test
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/DependInfo.cmake "--color="
@@ -225472,12 +225372,12 @@
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o -MF CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o.d -o CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/tests/threadaffinity_mpi.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/commandline/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o -MF CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o.d -o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/cmdlineprogramcontext.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"api/nblib/listed_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/nblib/tests -I/build/reproducible-path/gromacs-2025.2/api/nblib/include -I/build/reproducible-path/gromacs-2025.2/api/nblib -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT api/nblib/listed_forces/tests/CMakeFiles/nblib-listed-forces-test.dir/calculator.cpp.o -MF CMakeFiles/nblib-listed-forces-test.dir/calculator.cpp.o.d -o CMakeFiles/nblib-listed-forces-test.dir/calculator.cpp.o -c /build/reproducible-path/gromacs-2025.2/api/nblib/listed_forces/tests/calculator.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/plumed/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/plumed_md-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/plumed_md-test.dir/link.d "CMakeFiles/plumed_md-test.dir/plumed_md_test.cpp.o" "CMakeFiles/plumed_md-test.dir/plumedTestUtils.cpp.o" "CMakeFiles/plumed_md-test.dir/__/__/__/__/testutils/unittest_main.cpp.o" ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../../bin/plumed_md-test  ../../../../../lib/libtestutils.a ../../../../../lib/libmdrun_test_infrastructure.a -ldl ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../../lib/libgmock.so.1.13.0 ../../../../../lib/libgtest.so.1.13.0
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-integration-test.dir/link.d "CMakeFiles/nblib-integration-test.dir/gmxcalculator.cpp.o" "CMakeFiles/nblib-integration-test.dir/nbkernelsystem.cpp.o" "CMakeFiles/nblib-integration-test.dir/simstate.cpp.o" "CMakeFiles/nblib-integration-test.dir/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../bin/nblib-integration-test  ../../../lib/libtestutils.a ../../../lib/libnblib_test_infrastructure.a ../../../lib/libnblib_gmx.so.0.1.0 ../../../lib/libtestutils.a ../../../lib/libgmock.so.1.13.0 ../../../lib/libgtest.so.1.13.0 ../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 96%] Built target plumed_md-test
+[ 96%] Built target nblib-integration-test
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 /usr/bin/make  -f src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/build.make src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/analysisdata/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/analysisdata/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/DependInfo.cmake "--color="
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 /usr/bin/make  -f src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/build.make src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 96%] Built target mdrunutility-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/DependInfo.cmake "--color="
@@ -225502,36 +225394,33 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/moduletest.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/moduletest.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/moduletest.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/moduletest.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-mpi-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/commandline/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/commandline/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o -MF CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o.d -o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/commandline/tests/cmdlinemodulemanager.cpp
 /usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrunutility-mpi-test.dir/link.d "CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o" "CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/mdrunutility-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 [ 96%] Built target mdrunutility-mpi-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/analysisdata/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/analysisdata/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/arraydata.cpp.o -MF CMakeFiles/analysisdata-test.dir/arraydata.cpp.o.d -o CMakeFiles/analysisdata-test.dir/arraydata.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/analysisdata/tests/arraydata.cpp
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+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/mdrunutility-test.dir/link.d "CMakeFiles/mdrunutility-test.dir/mdmodulesnotifier.cpp.o" "CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o" "CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/mdrunutility-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 96%] Built target mdrunutility-test
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-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/commandline-test.dir/link.d "CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o" "CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o" "CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o" "CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o" "CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o" "CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o" "CMakeFiles/commandline-test.dir/filenm.cpp.o" "CMakeFiles/commandline-test.dir/pargs.cpp.o" "CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/commandline-test  ../../../../lib/libtestutils.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 96%] Built target commandline-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/freevolume.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/freevolume.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/freevolume.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/freevolume.cpp
+[ 96%] Built target plumed_md-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/analysisdata/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/analysisdata/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/histogram.cpp.o -MF CMakeFiles/analysisdata-test.dir/histogram.cpp.o.d -o CMakeFiles/analysisdata-test.dir/histogram.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/analysisdata/tests/histogram.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/analysisdata/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/analysisdata/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/lifetime.cpp.o -MF CMakeFiles/analysisdata-test.dir/lifetime.cpp.o.d -o CMakeFiles/analysisdata-test.dir/lifetime.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/analysisdata/tests/lifetime.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-setup-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/gyrate.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/gyrate.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/gyrate.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/gyrate.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/cmdlinerunner.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/cmdlinerunner.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/cmdlinerunner.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/cmdlinerunner.cpp
 /usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-setup-test.dir/link.d "CMakeFiles/nblib-setup-test.dir/box.cpp.o" "CMakeFiles/nblib-setup-test.dir/interactions.cpp.o" "CMakeFiles/nblib-setup-test.dir/particletype.cpp.o" "CMakeFiles/nblib-setup-test.dir/pbcholder.cpp.o" "CMakeFiles/nblib-setup-test.dir/molecules.cpp.o" "CMakeFiles/nblib-setup-test.dir/nbnxmsetup.cpp.o" "CMakeFiles/nblib-setup-test.dir/topology.cpp.o" "CMakeFiles/nblib-setup-test.dir/virials.cpp.o" "CMakeFiles/nblib-setup-test.dir/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../bin/nblib-setup-test  ../../../lib/libtestutils.a ../../../lib/libmdrun_test_infrastructure.a ../../../lib/libnblib_test_infrastructure.a ../../../lib/libnblib_gmx.so.0.1.0 ../../../lib/libtestutils.a ../../../lib/libgmock.so.1.13.0 ../../../lib/libgtest.so.1.13.0 ../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 [ 97%] Built target nblib-setup-test
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/hbond.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/hbond.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/hbond.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/hbond.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/analysisdata/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/analysisdata/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/analysisdata-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/analysisdata-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
 /usr/bin/make  -f api/nblib/CMakeFiles/nblib-tests.dir/build.make api/nblib/CMakeFiles/nblib-tests.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/CMakeFiles/nblib-tests.dir/DependInfo.cmake "--color="
@@ -225541,25 +225430,40 @@
 make[4]: Nothing to be done for 'api/nblib/CMakeFiles/nblib-tests.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 [ 97%] Built target nblib-tests
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 /usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/analysisdata-test.dir/link.d "CMakeFiles/analysisdata-test.dir/analysisdata.cpp.o" "CMakeFiles/analysisdata-test.dir/arraydata.cpp.o" "CMakeFiles/analysisdata-test.dir/average.cpp.o" "CMakeFiles/analysisdata-test.dir/histogram.cpp.o" "CMakeFiles/analysisdata-test.dir/lifetime.cpp.o" "CMakeFiles/analysisdata-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/analysisdata-test  ../../../../lib/libtestutils.a ../../../../lib/libanalysisdata-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 [ 97%] Built target analysisdata-test
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/scattering.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/scattering.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/scattering.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/scattering.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/surfacearea.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/surfacearea.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/surfacearea.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/surfacearea.cpp
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-listed-forces-test.dir/link.d "CMakeFiles/nblib-listed-forces-test.dir/bondtypes.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/gmxcalculator.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/helpers.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/kernels.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/typetests.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/calculator.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/conversions.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/shiftforces.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/transformations.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../../bin/nblib-listed-forces-test  ../../../../lib/libtestutils.a ../../../../lib/libnblib_test_infrastructure.a ../../../../lib/libnblib_gmx.so.0.1.0 ../../../../lib/libtestutils.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0 ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+[ 97%] Built target nblib-listed-forces-test
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/topologyinformation.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/topologyinformation.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/topologyinformation.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/topologyinformation.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/trajectory.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/trajectory.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/trajectory.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trajectory.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/unionfind.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/unionfind.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/unionfind.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/unionfind.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests && /usr/bin/mpicxx -DGMX_DOUBLE=0 -DGTEST_LANG_CXX11 -DGTEST_LINKED_AS_SHARED_LIBRARY=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/testutils/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/mpi/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googlemock -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -std=c++17 -fexcess-precision=fast -funroll-all-loops -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -fopenmp -MD -MT src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -MF CMakeFiles/trajectoryanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o.d -o CMakeFiles/trajectoryanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/listed_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/nblib-listed-forces-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nblib-listed-forces-test.dir/link.d "CMakeFiles/nblib-listed-forces-test.dir/bondtypes.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/gmxcalculator.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/helpers.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/listedtesthelpers.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/kernels.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/typetests.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/calculator.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/conversions.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/shiftforces.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/transformations.cpp.o" "CMakeFiles/nblib-listed-forces-test.dir/__/__/__/__/src/testutils/unittest_main.cpp.o" -o ../../../../bin/nblib-listed-forces-test  ../../../../lib/libtestutils.a ../../../../lib/libnblib_test_infrastructure.a ../../../../lib/libnblib_gmx.so.0.1.0 ../../../../lib/libtestutils.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0 ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a
+cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/commandline/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/commandline-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/commandline-test.dir/link.d "CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o" "CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o" "CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o" "CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o" "CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o" "CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o" "CMakeFiles/commandline-test.dir/filenm.cpp.o" "CMakeFiles/commandline-test.dir/pargs.cpp.o" "CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o" -o ../../../../bin/commandline-test  ../../../../lib/libtestutils.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-[ 97%] Built target nblib-listed-forces-test
+[ 97%] Built target commandline-test
 cd /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/trajectoryanalysis-test.dir/link.txt --verbose=1
 /usr/bin/mpicxx -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/trajectoryanalysis-test.dir/link.d "CMakeFiles/trajectoryanalysis-test.dir/moduletest.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/angle.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/clustsize.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/cmdlinerunner.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/convert_trj.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/distance.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/dssp.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/extract_cluster.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/freevolume.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/gyrate.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/hbond.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/msd.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/pairdist.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/rdf.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/sasa.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/select.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/scattering.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/surfacearea.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/topologyinformation.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/trajectory.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/unionfind.cpp.o" "CMakeFiles/trajectoryanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o" ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/trajectoryanalysis-test  ../../../../lib/libtestutils.a ../../../../lib/libanalysisdata-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mpi.so.10.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/14/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.a ../../../../lib/libgmock.so.1.13.0 ../../../../lib/libgtest.so.1.13.0
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
@@ -225632,7 +225536,7 @@
 1:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 1: starting mdrun 'Water and methane'
 1: 2 steps,      0.0 ps.
-1: Setting the LD random seed to -1373634567
+1: Setting the LD random seed to -8782117
 1: 
 1: Generated 331705 of the 331705 non-bonded parameter combinations
 1: 
@@ -225657,10 +225561,10 @@
 1: Writing final coordinates.
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.002        0.001      192.4
+1:        Time:        0.002        0.001      192.5
 1:                  (ns/day)    (hour/ns)
-1: Performance:      611.921        0.039
-1: [       OK ] GmxApiTest.ApiRunnerRestrainedMD (183 ms)
+1: Performance:      562.332        0.043
+1: [       OK ] GmxApiTest.ApiRunnerRestrainedMD (166 ms)
 1: [ RUN      ] GmxApiTest.RunnerBasicMD
 1: Generating 1-4 interactions: fudge = 0.5
 1: 
@@ -225692,7 +225596,7 @@
 1:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 1: starting mdrun 'Water and methane'
 1: 2 steps,      0.0 ps.
-1: Setting the LD random seed to 1541400411
+1: Setting the LD random seed to -1343254661
 1: 
 1: Generated 331705 of the 331705 non-bonded parameter combinations
 1: 
@@ -225717,10 +225621,10 @@
 1: Writing final coordinates.
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.001        0.001      189.0
+1:        Time:        0.001        0.001      188.7
 1:                  (ns/day)    (hour/ns)
-1: Performance:      952.609        0.025
-1: [       OK ] GmxApiTest.RunnerBasicMD (149 ms)
+1: Performance:      926.021        0.026
+1: [       OK ] GmxApiTest.RunnerBasicMD (146 ms)
 1: [ RUN      ] GmxApiTest.RunnerReinitialize
 1: Generating 1-4 interactions: fudge = 0.5
 1: 
@@ -225756,7 +225660,7 @@
 1: 
 1: Received the remote INT/TERM signal, stopping within 200 steps
 1: 
-1: Setting the LD random seed to -272646785
+1: Setting the LD random seed to 2052849562
 1: 
 1: Generated 331705 of the 331705 non-bonded parameter combinations
 1: 
@@ -225781,9 +225685,9 @@
 1: Writing final coordinates.
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.002        0.001      192.7
+1:        Time:        0.002        0.001      192.8
 1:                  (ns/day)    (hour/ns)
-1: Performance:     4108.227        0.006
+1: Performance:     3788.826        0.006
 1: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 1: Changing nstlist from 10 to 25, rlist from 1.057 to 1.183
 1: 
@@ -225801,10 +225705,10 @@
 1: Writing final coordinates.
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.003        0.001      194.9
+1:        Time:        0.002        0.001      193.5
 1:                  (ns/day)    (hour/ns)
-1: Performance:     2741.849        0.009
-1: [       OK ] GmxApiTest.RunnerReinitialize (149 ms)
+1: Performance:     3619.081        0.007
+1: [       OK ] GmxApiTest.RunnerReinitialize (146 ms)
 1: [ RUN      ] GmxApiTest.RunnerChainedMD
 1: Generating 1-4 interactions: fudge = 0.5
 1: 
@@ -225836,7 +225740,7 @@
 1:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 1: starting mdrun 'Water and methane'
 1: 2 steps,      0.0 ps.
-1: Setting the LD random seed to -274763905
+1: Setting the LD random seed to -172294416
 1: 
 1: Generated 331705 of the 331705 non-bonded parameter combinations
 1: 
@@ -225861,9 +225765,9 @@
 1: Writing final coordinates.
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.001        0.001      189.0
+1:        Time:        0.001        0.001      188.6
 1:                  (ns/day)    (hour/ns)
-1: Performance:      869.876        0.028
+1: Performance:      889.554        0.027
 1: trr version: GMX_trn_file (single precision)
 1: 
 1: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerChainedMD.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -225902,11 +225806,11 @@
 1: Writing final coordinates.
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.001        0.001      192.7
+1:        Time:        0.001        0.001      193.2
 1:                  (ns/day)    (hour/ns)
-1: Performance:      860.011        0.028
+1: Performance:      886.583        0.027
 1: 
-1: [       OK ] GmxApiTest.RunnerChainedMD (148 ms)
+1: [       OK ] GmxApiTest.RunnerChainedMD (146 ms)
 1: [ RUN      ] GmxApiTest.Status
 1: [       OK ] GmxApiTest.Status (0 ms)
 1: [ RUN      ] GmxApiTest.ApiRunnerStopSignalClient
@@ -225940,7 +225844,7 @@
 1:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 1: starting mdrun 'Water and methane'
 1: 4 steps,      0.0 ps.
-1: Setting the LD random seed to 528481279
+1: Setting the LD random seed to -1074569857
 1: 
 1: Generated 331705 of the 331705 non-bonded parameter combinations
 1: 
@@ -225964,13 +225868,13 @@
 1: 
 1: Writing final coordinates.
 1: 
-1: NOTE: 15 % of the run time was spent in pair search,
+1: NOTE: 14 % of the run time was spent in pair search,
 1:       you might want to increase nstlist (this has no effect on accuracy)
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.001        0.001      189.9
+1:        Time:        0.001        0.001      190.3
 1:                  (ns/day)    (hour/ns)
-1: Performance:     1316.571        0.018
+1: Performance:     1327.934        0.018
 1: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 1: Overriding nsteps with value passed on the command line: 4 steps, 0.00781 ps
 1: Changing nstlist from 10 to 1, rlist from 1.057 to 1
@@ -225988,10 +225892,10 @@
 1: 4 steps,      0.0 ps.
 1: 
 1:                Core t (s)   Wall t (s)        (%)
-1:        Time:        0.001        0.001      187.3
+1:        Time:        0.001        0.000      187.1
 1:                  (ns/day)    (hour/ns)
-1: Performance:      657.491        0.037
-1: [       OK ] GmxApiTest.ApiRunnerStopSignalClient (150 ms)
+1: Performance:      677.310        0.035
+1: [       OK ] GmxApiTest.ApiRunnerStopSignalClient (148 ms)
 1: [ RUN      ] GmxApiTest.SystemConstruction
 1: Generating 1-4 interactions: fudge = 0.5
 1: 
@@ -226010,7 +225914,7 @@
 1: 
 1: 
 1: There were 2 NOTEs
-1: Setting the LD random seed to -272712027
+1: Setting the LD random seed to -123111201
 1: 
 1: Generated 331705 of the 331705 non-bonded parameter combinations
 1: 
@@ -226031,17 +225935,17 @@
 1: Note that mdrun will redetermine rlist based on the actual pair-list setup
 1: 
 1: This run will generate roughly 0 Mb of data
-1: [       OK ] GmxApiTest.SystemConstruction (139 ms)
+1: [       OK ] GmxApiTest.SystemConstruction (136 ms)
 1: [ RUN      ] GmxApiTest.SaneVersionComparisons
 1: [       OK ] GmxApiTest.SaneVersionComparisons (0 ms)
 1: [ RUN      ] GmxApiTest.VersionNamed0_1_Features
 1: [       OK ] GmxApiTest.VersionNamed0_1_Features (0 ms)
-1: [----------] 9 tests from GmxApiTest (922 ms total)
+1: [----------] 9 tests from GmxApiTest (890 ms total)
 1: 
 1: [----------] Global test environment tear-down
-1: [==========] 9 tests from 1 test suite ran. (930 ms total)
+1: [==========] 9 tests from 1 test suite ran. (897 ms total)
 1: [  PASSED  ] 9 tests.
- 1/96 Test  #1: GmxapiExternalInterfaceTests .................   Passed    1.03 sec
+ 1/96 Test  #1: GmxapiExternalInterfaceTests .................   Passed    1.06 sec
 test 2
       Start  2: GmxapiMpiTests
 
@@ -226052,16 +225956,16 @@
 2: [----------] Global test environment set-up.
 2: [----------] 13 tests from GmxApiTest
 2: [ RUN      ] GmxApiTest.AllContext
-2: [       OK ] GmxApiTest.AllContext (18 ms)
+2: [       OK ] GmxApiTest.AllContext (13 ms)
 2: [ RUN      ] GmxApiTest.NullContext
 2: [       OK ] GmxApiTest.NullContext (0 ms)
 2: [ RUN      ] GmxApiTest.MpiWorldContext
 2: [       OK ] GmxApiTest.MpiWorldContext (11 ms)
 2: [ RUN      ] GmxApiTest.MpiSplitContext
-2: [       OK ] GmxApiTest.MpiSplitContext (11 ms)
+2: [       OK ] GmxApiTest.MpiSplitContext (10 ms)
 2: [ RUN      ] GmxApiTest.ApiRunnerRestrainedMD
-2: Setting the LD random seed to -1409844305
-2: Setting the LD random seed to 2059333119
+2: Setting the LD random seed to -827421
+2: Setting the LD random seed to -1946559571
 2: 
 2: Generated 331705 of the 331705 non-bonded parameter combinations
 2: Generating 1-4 interactions: fudge = 0.5
@@ -226087,14 +225991,6 @@
 2: 
 2: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 2: 
-2: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerRestrainedMD_input.mdp]:
-2:   You are using a plain Coulomb cut-off, which might produce artifacts.
-2:   You might want to consider using PME electrostatics.
-2: 
-2: 
-2: 
-2: There were 2 NOTEs
-2: 
 2: Calculated rlist for 1x1 atom pair-list as 1.077 nm, buffer size 0.077 nm
 2: 
 2: Set rlist, assuming 4x4 atom pair-list, to 1.057 nm, buffer size 0.057 nm
@@ -226103,6 +225999,14 @@
 2: 
 2: This run will generate roughly 0 Mb of data
 2: 
+2: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerRestrainedMD_input.mdp]:
+2:   You are using a plain Coulomb cut-off, which might produce artifacts.
+2:   You might want to consider using PME electrostatics.
+2: 
+2: 
+2: 
+2: There were 2 NOTEs
+2: 
 2: Generated 331705 of the 331705 1-4 parameter combinations
 2: 
 2: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -226152,31 +226056,23 @@
 2: 
 2: Writing final coordinates.
 2: 
-2: NOTE: 44 % of the run time was spent communicating energies,
+2: NOTE: 8 % of the run time was spent communicating energies,
 2:       you might want to increase some nst* mdp options
 2: 
 2:                Core t (s)   Wall t (s)        (%)
-2:        Time:        0.035        0.009      396.9
+2:        Time:        0.023        0.006      392.6
 2:                  (ns/day)    (hour/ns)
-2: Performance:       57.448        0.418
-2: [       OK ] GmxApiTest.ApiRunnerRestrainedMD (244 ms)
+2: Performance:       85.694        0.280
+2: [       OK ] GmxApiTest.ApiRunnerRestrainedMD (225 ms)
 2: [ RUN      ] GmxApiTest.RunnerBasicMD
-2: Setting the LD random seed to -4199877
-2: Setting the LD random seed to 536869887
+2: Setting the LD random seed to 1542911694
+2: Setting the LD random seed to -1212682325
 2: 
 2: Generated 331705 of the 331705 non-bonded parameter combinations
+2: Generating 1-4 interactions: fudge = 0.5
 2: 
 2: Generated 331705 of the 331705 non-bonded parameter combinations
 2: Generating 1-4 interactions: fudge = 0.5
-2: Generating 1-4 interactions: fudge = 0.5
-2: 
-2: Generated 331705 of the 331705 1-4 parameter combinations
-2: 
-2: Excluding 2 bonded neighbours molecule type 'SOL'
-2: 
-2: Excluding 3 bonded neighbours molecule type 'methane'
-2: 
-2: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/spc_and_methane.gro'
 2: 
 2: Generated 331705 of the 331705 1-4 parameter combinations
 2: 
@@ -226202,16 +226098,24 @@
 2: 
 2: Note that mdrun will redetermine rlist based on the actual pair-list setup
 2: 
+2: This run will generate roughly 0 Mb of data
+2: 
 2: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerBasicMD_input.mdp]:
 2:   You are using a plain Coulomb cut-off, which might produce artifacts.
 2:   You might want to consider using PME electrostatics.
 2: 
 2: 
 2: 
-2: This run will generate roughly 0 Mb of data
-2: 
 2: There were 2 NOTEs
 2: 
+2: Generated 331705 of the 331705 1-4 parameter combinations
+2: 
+2: Excluding 2 bonded neighbours molecule type 'SOL'
+2: 
+2: Excluding 3 bonded neighbours molecule type 'methane'
+2: 
+2: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/spc_and_methane.gro'
+2: 
 2: NOTE 1 [file spc_and_methane.top, line 33]:
 2:   The bond in molecule-type methane between atoms 1 C and 2 H1 has an
 2:   estimated oscillational period of 1.1e-02 ps, which is less than 10 times
@@ -226222,21 +226126,21 @@
 2: 
 2: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 2: 
-2: Calculated rlist for 1x1 atom pair-list as 1.077 nm, buffer size 0.077 nm
-2: 
-2: Set rlist, assuming 4x4 atom pair-list, to 1.057 nm, buffer size 0.057 nm
-2: 
-2: Note that mdrun will redetermine rlist based on the actual pair-list setup
-2: 
 2: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerBasicMD_input.mdp]:
 2:   You are using a plain Coulomb cut-off, which might produce artifacts.
 2:   You might want to consider using PME electrostatics.
 2: 
 2: 
 2: 
-2: This run will generate roughly 0 Mb of data
-2: 
 2: There were 2 NOTEs
+2: 
+2: Calculated rlist for 1x1 atom pair-list as 1.077 nm, buffer size 0.077 nm
+2: 
+2: Set rlist, assuming 4x4 atom pair-list, to 1.057 nm, buffer size 0.057 nm
+2: 
+2: Note that mdrun will redetermine rlist based on the actual pair-list setup
+2: 
+2: This run will generate roughly 0 Mb of data
 2: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerBasicMD.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 2: Changing nstlist from 10 to 25, rlist from 1.057 to 1.183
 2: 
@@ -226253,27 +226157,23 @@
 2: 
 2: Writing final coordinates.
 2: 
-2: NOTE: 25 % of the run time was spent in domain decomposition,
-2:       7 % of the run time was spent in pair search,
-2:       you might want to increase nstlist (this has no effect on accuracy)
-2: 
-2: NOTE: 12 % of the run time was spent communicating energies,
+2: NOTE: 32 % of the run time was spent communicating energies,
 2:       you might want to increase some nst* mdp options
 2: 
 2:                Core t (s)   Wall t (s)        (%)
-2:        Time:        0.151        0.038      399.2
+2:        Time:        0.002        0.001      374.4
 2:                  (ns/day)    (hour/ns)
-2: Performance:       13.413        1.789
-2: [       OK ] GmxApiTest.RunnerBasicMD (240 ms)
+2: Performance:      761.473        0.032
+2: [       OK ] GmxApiTest.RunnerBasicMD (208 ms)
 2: [ RUN      ] GmxApiTest.RunnerReinitialize
-2: Setting the LD random seed to -272773250
-2: Setting the LD random seed to -393237
+2: Setting the LD random seed to -34609953
+2: Setting the LD random seed to -74451052
 2: 
 2: Generated 331705 of the 331705 non-bonded parameter combinations
-2: Generating 1-4 interactions: fudge = 0.5
 2: 
 2: Generated 331705 of the 331705 non-bonded parameter combinations
 2: Generating 1-4 interactions: fudge = 0.5
+2: Generating 1-4 interactions: fudge = 0.5
 2: 
 2: Generated 331705 of the 331705 1-4 parameter combinations
 2: 
@@ -226283,15 +226183,13 @@
 2: 
 2: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/spc_and_methane.gro'
 2: 
-2: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
-2: 
-2: Calculated rlist for 1x1 atom pair-list as 1.077 nm, buffer size 0.077 nm
+2: Generated 331705 of the 331705 1-4 parameter combinations
 2: 
-2: Set rlist, assuming 4x4 atom pair-list, to 1.057 nm, buffer size 0.057 nm
+2: Excluding 2 bonded neighbours molecule type 'SOL'
 2: 
-2: Note that mdrun will redetermine rlist based on the actual pair-list setup
+2: Excluding 3 bonded neighbours molecule type 'methane'
 2: 
-2: This run will generate roughly 0 Mb of data
+2: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/spc_and_methane.gro'
 2: 
 2: NOTE 1 [file spc_and_methane.top, line 33]:
 2:   The bond in molecule-type methane between atoms 1 C and 2 H1 has an
@@ -226301,6 +226199,8 @@
 2: 
 2: Number of degrees of freedom in T-Coupling group System is 18.00
 2: 
+2: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+2: 
 2: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize_input.mdp]:
 2:   You are using a plain Coulomb cut-off, which might produce artifacts.
 2:   You might want to consider using PME electrostatics.
@@ -226309,13 +226209,13 @@
 2: 
 2: There were 2 NOTEs
 2: 
-2: Generated 331705 of the 331705 1-4 parameter combinations
+2: Calculated rlist for 1x1 atom pair-list as 1.077 nm, buffer size 0.077 nm
 2: 
-2: Excluding 2 bonded neighbours molecule type 'SOL'
+2: Set rlist, assuming 4x4 atom pair-list, to 1.057 nm, buffer size 0.057 nm
 2: 
-2: Excluding 3 bonded neighbours molecule type 'methane'
+2: Note that mdrun will redetermine rlist based on the actual pair-list setup
 2: 
-2: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/spc_and_methane.gro'
+2: This run will generate roughly 0 Mb of data
 2: 
 2: NOTE 1 [file spc_and_methane.top, line 33]:
 2:   The bond in molecule-type methane between atoms 1 C and 2 H1 has an
@@ -226327,14 +226227,6 @@
 2: 
 2: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 2: 
-2: Calculated rlist for 1x1 atom pair-list as 1.077 nm, buffer size 0.077 nm
-2: 
-2: Set rlist, assuming 4x4 atom pair-list, to 1.057 nm, buffer size 0.057 nm
-2: 
-2: Note that mdrun will redetermine rlist based on the actual pair-list setup
-2: 
-2: This run will generate roughly 0 Mb of data
-2: 
 2: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize_input.mdp]:
 2:   You are using a plain Coulomb cut-off, which might produce artifacts.
 2:   You might want to consider using PME electrostatics.
@@ -226342,6 +226234,14 @@
 2: 
 2: 
 2: There were 2 NOTEs
+2: 
+2: Calculated rlist for 1x1 atom pair-list as 1.077 nm, buffer size 0.077 nm
+2: 
+2: Set rlist, assuming 4x4 atom pair-list, to 1.057 nm, buffer size 0.057 nm
+2: 
+2: Note that mdrun will redetermine rlist based on the actual pair-list setup
+2: 
+2: This run will generate roughly 0 Mb of data
 2: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 2: Changing nstlist from 10 to 25, rlist from 1.057 to 1.183
 2: 
@@ -226366,10 +226266,13 @@
 2: 
 2: Writing final coordinates.
 2: 
+2: NOTE: 19 % of the run time was spent communicating energies,
+2:       you might want to increase some nst* mdp options
+2: 
 2:                Core t (s)   Wall t (s)        (%)
-2:        Time:        0.455        0.114      399.8
+2:        Time:        0.004        0.001      383.3
 2:                  (ns/day)    (hour/ns)
-2: Performance:       31.149        0.771
+2: Performance:     3168.528        0.008
 2: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 2: Changing nstlist from 10 to 25, rlist from 1.057 to 1.183
 2: 
@@ -226386,14 +226289,17 @@
 2: 
 2: Writing final coordinates.
 2: 
+2: NOTE: 23 % of the run time was spent communicating energies,
+2:       you might want to increase some nst* mdp options
+2: 
 2:                Core t (s)   Wall t (s)        (%)
-2:        Time:        0.504        0.126      399.7
+2:        Time:        0.004        0.001      383.5
 2:                  (ns/day)    (hour/ns)
-2: Performance:       28.107        0.854
-2: [       OK ] GmxApiTest.RunnerReinitialize (551 ms)
+2: Performance:     3029.980        0.008
+2: [       OK ] GmxApiTest.RunnerReinitialize (159 ms)
 2: [ RUN      ] GmxApiTest.RunnerChainedMD
-2: Setting the LD random seed to -152142722
-2: Setting the LD random seed to -17567521
+2: Setting the LD random seed to 527415287
+2: Setting the LD random seed to -834797570
 2: 
 2: Generated 331705 of the 331705 non-bonded parameter combinations
 2: Generating 1-4 interactions: fudge = 0.5
@@ -226409,6 +226315,14 @@
 2: 
 2: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/spc_and_methane.gro'
 2: 
+2: Generated 331705 of the 331705 1-4 parameter combinations
+2: 
+2: Excluding 2 bonded neighbours molecule type 'SOL'
+2: 
+2: Excluding 3 bonded neighbours molecule type 'methane'
+2: 
+2: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/spc_and_methane.gro'
+2: 
 2: NOTE 1 [file spc_and_methane.top, line 33]:
 2:   The bond in molecule-type methane between atoms 1 C and 2 H1 has an
 2:   estimated oscillational period of 1.1e-02 ps, which is less than 10 times
@@ -226419,29 +226333,21 @@
 2: 
 2: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 2: 
-2: Calculated rlist for 1x1 atom pair-list as 1.077 nm, buffer size 0.077 nm
-2: 
-2: Set rlist, assuming 4x4 atom pair-list, to 1.057 nm, buffer size 0.057 nm
-2: 
-2: Note that mdrun will redetermine rlist based on the actual pair-list setup
-2: 
-2: 
 2: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerChainedMD_input.mdp]:
 2:   You are using a plain Coulomb cut-off, which might produce artifacts.
 2:   You might want to consider using PME electrostatics.
 2: 
 2: 
-2: This run will generate roughly 0 Mb of data
 2: 
 2: There were 2 NOTEs
 2: 
-2: Generated 331705 of the 331705 1-4 parameter combinations
+2: Calculated rlist for 1x1 atom pair-list as 1.077 nm, buffer size 0.077 nm
 2: 
-2: Excluding 2 bonded neighbours molecule type 'SOL'
+2: Set rlist, assuming 4x4 atom pair-list, to 1.057 nm, buffer size 0.057 nm
 2: 
-2: Excluding 3 bonded neighbours molecule type 'methane'
+2: Note that mdrun will redetermine rlist based on the actual pair-list setup
 2: 
-2: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/spc_and_methane.gro'
+2: This run will generate roughly 0 Mb of data
 2: 
 2: NOTE 1 [file spc_and_methane.top, line 33]:
 2:   The bond in molecule-type methane between atoms 1 C and 2 H1 has an
@@ -226453,21 +226359,21 @@
 2: 
 2: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 2: 
-2: Calculated rlist for 1x1 atom pair-list as 1.077 nm, buffer size 0.077 nm
-2: 
-2: Set rlist, assuming 4x4 atom pair-list, to 1.057 nm, buffer size 0.057 nm
-2: 
-2: Note that mdrun will redetermine rlist based on the actual pair-list setup
-2: 
-2: 
 2: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerChainedMD_input.mdp]:
 2:   You are using a plain Coulomb cut-off, which might produce artifacts.
 2:   You might want to consider using PME electrostatics.
 2: 
 2: 
-2: This run will generate roughly 0 Mb of data
 2: 
 2: There were 2 NOTEs
+2: 
+2: Calculated rlist for 1x1 atom pair-list as 1.077 nm, buffer size 0.077 nm
+2: 
+2: Set rlist, assuming 4x4 atom pair-list, to 1.057 nm, buffer size 0.057 nm
+2: 
+2: Note that mdrun will redetermine rlist based on the actual pair-list setup
+2: 
+2: This run will generate roughly 0 Mb of data
 2: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerChainedMD.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 2: Changing nstlist from 10 to 25, rlist from 1.057 to 1.183
 2: 
@@ -226484,9 +226390,21 @@
 2: 
 2: Writing final coordinates.
 2: 
+2: NOTE: 33 % of the run time was spent communicating energies,
+2:       you might want to increase some nst* mdp options
+2: 
+2:                Core t (s)   Wall t (s)        (%)
+2:        Time:        0.003        0.001      371.5
+2:                  (ns/day)    (hour/ns)
+2: Performance:      746.219        0.032
+2: trr version: GMX_trn_file (single precision)
 2: trr version: GMX_trn_file (single precision)
 2: 
+2: 
+2: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerChainedMD.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 2: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerChainedMD.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+2: Setting nsteps to 4
+2: Setting nsteps to 4
 2: Input file:
 2:   Run start step                                     0     
 2:   Run start time                                     0 ps  
@@ -226504,32 +226422,13 @@
 2:   Run end step                                       4     
 2:   Run end time                               0.0078125 ps  
 2: 
-2: Setting nsteps to 4
-2: NOTE: 25 % of the run time was spent in domain decomposition,
-2:       16 % of the run time was spent in pair search,
-2:       you might want to increase nstlist (this has no effect on accuracy)
-2: 
-2:                Core t (s)   Wall t (s)        (%)
-2:        Time:        0.119        0.030      399.0
-2:                  (ns/day)    (hour/ns)
-2: Performance:       16.912        1.419
-2: trr version: GMX_trn_file (single precision)
-2: 
-2: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerChainedMD.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-2: Setting nsteps to 4
-2: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerChainedMD.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-2: Changing nstlist from 10 to 25, rlist from 1.057 to 1.183
-2: 
-2: Using 2 MPI processes
-2: Using 2 OpenMP threads per MPI process
-2: 
 2: Input file:
 2:   Run start step                                     0     
 2:   Run start time                                     0 ps  
-2:   Step to be made during run                         4     
-2:   Runtime for the run                        0.0078125 ps  
-2:   Run end step                                       4     
-2:   Run end time                               0.0078125 ps  
+2:   Step to be made during run                         2     
+2:   Runtime for the run                       0.00390625 ps  
+2:   Run end step                                       2     
+2:   Run end time                              0.00390625 ps  
 2: 
 2: 
 2: Output file:
@@ -226540,6 +226439,12 @@
 2:   Run end step                                       4     
 2:   Run end time                               0.0078125 ps  
 2: 
+2: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerChainedMD.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+2: Changing nstlist from 10 to 25, rlist from 1.057 to 1.183
+2: 
+2: Using 2 MPI processes
+2: Using 2 OpenMP threads per MPI process
+2: 
 2: 
 2: NOTE: The number of threads is not equal to the number of (logical) cpus
 2:       and the -pin option is set to auto: will not pin threads to cpus.
@@ -226550,21 +226455,21 @@
 2: 
 2: Writing final coordinates.
 2: 
-2: 
-2: NOTE: 24 % of the run time was spent in pair search,
-2:       you might want to increase nstlist (this has no effect on accuracy)
+2: NOTE: 36 % of the run time was spent communicating energies,
+2:       you might want to increase some nst* mdp options
 2: 
 2:                Core t (s)   Wall t (s)        (%)
-2:        Time:        0.082        0.021      398.7
+2:        Time:        0.002        0.001      378.0
 2:                  (ns/day)    (hour/ns)
-2: Performance:       24.599        0.976
+2: Performance:      795.864        0.030
 2: 
-2: [       OK ] GmxApiTest.RunnerChainedMD (318 ms)
+2: 
+2: [       OK ] GmxApiTest.RunnerChainedMD (160 ms)
 2: [ RUN      ] GmxApiTest.Status
 2: [       OK ] GmxApiTest.Status (0 ms)
 2: [ RUN      ] GmxApiTest.ApiRunnerStopSignalClient
-2: Setting the LD random seed to -134225922
-2: Setting the LD random seed to -1087709254
+2: Setting the LD random seed to -809520770
+2: Setting the LD random seed to -1140875457
 2: 
 2: Generated 331705 of the 331705 non-bonded parameter combinations
 2: Generating 1-4 interactions: fudge = 0.5
@@ -226602,15 +226507,15 @@
 2: 
 2: Set rlist, assuming 4x4 atom pair-list, to 1.057 nm, buffer size 0.057 nm
 2: 
+2: Note that mdrun will redetermine rlist based on the actual pair-list setup
+2: 
+2: This run will generate roughly 0 Mb of data
 2: 
 2: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient_input.mdp]:
 2:   You are using a plain Coulomb cut-off, which might produce artifacts.
 2:   You might want to consider using PME electrostatics.
 2: 
 2: 
-2: Note that mdrun will redetermine rlist based on the actual pair-list setup
-2: 
-2: This run will generate roughly 0 Mb of data
 2: 
 2: There were 2 NOTEs
 2: 
@@ -226624,21 +226529,21 @@
 2: 
 2: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 2: 
-2: Calculated rlist for 1x1 atom pair-list as 1.077 nm, buffer size 0.077 nm
-2: 
-2: Set rlist, assuming 4x4 atom pair-list, to 1.057 nm, buffer size 0.057 nm
-2: 
-2: Note that mdrun will redetermine rlist based on the actual pair-list setup
-2: 
 2: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient_input.mdp]:
 2:   You are using a plain Coulomb cut-off, which might produce artifacts.
 2:   You might want to consider using PME electrostatics.
 2: 
 2: 
 2: 
-2: This run will generate roughly 0 Mb of data
-2: 
 2: There were 2 NOTEs
+2: 
+2: Calculated rlist for 1x1 atom pair-list as 1.077 nm, buffer size 0.077 nm
+2: 
+2: Set rlist, assuming 4x4 atom pair-list, to 1.057 nm, buffer size 0.057 nm
+2: 
+2: Note that mdrun will redetermine rlist based on the actual pair-list setup
+2: 
+2: This run will generate roughly 0 Mb of data
 2: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 2: Changing nstlist from 10 to 1, rlist from 1.057 to 1
 2: 
@@ -226657,21 +226562,23 @@
 2: 
 2: 
 2: Dynamic load balancing report:
-2:  DLB was turned on during the run due to measured imbalance.
-2:  Average load imbalance: 59.5%.
-2:  The balanceable part of the MD step is 8%, load imbalance is computed from this.
-2:  Part of the total run time spent waiting due to load imbalance: 4.9%.
-2:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+2:  DLB was off during the run due to low measured imbalance.
+2:  Average load imbalance: 19.3%.
+2:  The balanceable part of the MD step is 9%, load imbalance is computed from this.
+2:  Part of the total run time spent waiting due to load imbalance: 1.8%.
 2: 
 2: 
-2: NOTE: 47 % of the run time was spent in domain decomposition,
-2:       20 % of the run time was spent in pair search,
+2: NOTE: 24 % of the run time was spent in domain decomposition,
+2:       11 % of the run time was spent in pair search,
 2:       you might want to increase nstlist (this has no effect on accuracy)
 2: 
+2: NOTE: 22 % of the run time was spent communicating energies,
+2:       you might want to increase some nst* mdp options
+2: 
 2:                Core t (s)   Wall t (s)        (%)
-2:        Time:        0.308        0.077      399.7
+2:        Time:        0.004        0.001      380.9
 2:                  (ns/day)    (hour/ns)
-2: Performance:       10.964        2.189
+2: Performance:      832.791        0.029
 2: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 2: Overriding nsteps with value passed on the command line: 4 steps, 0.00781 ps
 2: Changing nstlist from 10 to 1, rlist from 1.057 to 1
@@ -226691,23 +226598,26 @@
 2: 
 2: Dynamic load balancing report:
 2:  DLB was off during the run due to low measured imbalance.
-2:  Average load imbalance: 20.0%.
-2:  The balanceable part of the MD step is 11%, load imbalance is computed from this.
-2:  Part of the total run time spent waiting due to load imbalance: 2.3%.
+2:  Average load imbalance: 14.7%.
+2:  The balanceable part of the MD step is 9%, load imbalance is computed from this.
+2:  Part of the total run time spent waiting due to load imbalance: 1.3%.
 2: 
 2: 
-2: NOTE: 41 % of the run time was spent in domain decomposition,
-2:       28 % of the run time was spent in pair search,
+2: NOTE: 16 % of the run time was spent in domain decomposition,
+2:       8 % of the run time was spent in pair search,
 2:       you might want to increase nstlist (this has no effect on accuracy)
 2: 
+2: NOTE: 28 % of the run time was spent communicating energies,
+2:       you might want to increase some nst* mdp options
+2: 
 2:                Core t (s)   Wall t (s)        (%)
-2:        Time:        0.146        0.037      399.3
+2:        Time:        0.003        0.001      356.2
 2:                  (ns/day)    (hour/ns)
-2: Performance:        9.226        2.601
-2: [       OK ] GmxApiTest.ApiRunnerStopSignalClient (308 ms)
+2: Performance:      460.725        0.052
+2: [       OK ] GmxApiTest.ApiRunnerStopSignalClient (166 ms)
 2: [ RUN      ] GmxApiTest.SystemConstruction
-2: Setting the LD random seed to 1828454142
-2: Setting the LD random seed to -185205898
+2: Setting the LD random seed to 1809823483
+2: Setting the LD random seed to -337201185
 2: 
 2: Generated 331705 of the 331705 non-bonded parameter combinations
 2: 
@@ -226741,22 +226651,22 @@
 2: 
 2: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 2: 
-2: Calculated rlist for 1x1 atom pair-list as 1.077 nm, buffer size 0.077 nm
-2: 
-2: Set rlist, assuming 4x4 atom pair-list, to 1.057 nm, buffer size 0.057 nm
-2: 
-2: 
 2: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_SystemConstruction_input.mdp]:
 2:   You are using a plain Coulomb cut-off, which might produce artifacts.
 2:   You might want to consider using PME electrostatics.
 2: 
 2: 
+2: 
+2: There were 2 NOTEs
+2: 
+2: Calculated rlist for 1x1 atom pair-list as 1.077 nm, buffer size 0.077 nm
+2: 
+2: Set rlist, assuming 4x4 atom pair-list, to 1.057 nm, buffer size 0.057 nm
+2: 
 2: Note that mdrun will redetermine rlist based on the actual pair-list setup
 2: 
 2: This run will generate roughly 0 Mb of data
 2: 
-2: There were 2 NOTEs
-2: 
 2: NOTE 1 [file spc_and_methane.top, line 33]:
 2:   The bond in molecule-type methane between atoms 1 C and 2 H1 has an
 2:   estimated oscillational period of 1.1e-02 ps, which is less than 10 times
@@ -226767,32 +226677,32 @@
 2: 
 2: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 2: 
-2: Calculated rlist for 1x1 atom pair-list as 1.077 nm, buffer size 0.077 nm
-2: 
-2: Set rlist, assuming 4x4 atom pair-list, to 1.057 nm, buffer size 0.057 nm
-2: 
-2: Note that mdrun will redetermine rlist based on the actual pair-list setup
-2: 
 2: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_SystemConstruction_input.mdp]:
 2:   You are using a plain Coulomb cut-off, which might produce artifacts.
 2:   You might want to consider using PME electrostatics.
 2: 
 2: 
 2: 
-2: This run will generate roughly 0 Mb of data
-2: 
 2: There were 2 NOTEs
-2: [       OK ] GmxApiTest.SystemConstruction (152 ms)
+2: 
+2: Calculated rlist for 1x1 atom pair-list as 1.077 nm, buffer size 0.077 nm
+2: 
+2: Set rlist, assuming 4x4 atom pair-list, to 1.057 nm, buffer size 0.057 nm
+2: 
+2: Note that mdrun will redetermine rlist based on the actual pair-list setup
+2: 
+2: This run will generate roughly 0 Mb of data
+2: [       OK ] GmxApiTest.SystemConstruction (147 ms)
 2: [ RUN      ] GmxApiTest.SaneVersionComparisons
 2: [       OK ] GmxApiTest.SaneVersionComparisons (0 ms)
 2: [ RUN      ] GmxApiTest.VersionNamed0_1_Features
 2: [       OK ] GmxApiTest.VersionNamed0_1_Features (0 ms)
-2: [----------] 13 tests from GmxApiTest (1858 ms total)
+2: [----------] 13 tests from GmxApiTest (1103 ms total)
 2: 
 2: [----------] Global test environment tear-down
-2: [==========] 13 tests from 1 test suite ran. (1879 ms total)
+2: [==========] 13 tests from 1 test suite ran. (1146 ms total)
 2: [  PASSED  ] 13 tests.
- 2/96 Test  #2: GmxapiMpiTests ...............................   Passed    2.15 sec
+ 2/96 Test  #2: GmxapiMpiTests ...............................   Passed    1.40 sec
 test 3
       Start  3: GmxapiInternalInterfaceTests
 
@@ -226820,7 +226730,7 @@
 3: 
 3: 
 3: There were 2 NOTEs
-3: Setting the LD random seed to -272629891
+3: Setting the LD random seed to 2129646461
 3: 
 3: Generated 331705 of the 331705 non-bonded parameter combinations
 3: 
@@ -226841,7 +226751,7 @@
 3: Note that mdrun will redetermine rlist based on the actual pair-list setup
 3: 
 3: This run will generate roughly 0 Mb of data
-3: [       OK ] GmxApiTest.BuildApiWorkflowImpl (150 ms)
+3: [       OK ] GmxApiTest.BuildApiWorkflowImpl (154 ms)
 3: [ RUN      ] GmxApiTest.CreateApiWorkflow
 3: Generating 1-4 interactions: fudge = 0.5
 3: 
@@ -226860,7 +226770,7 @@
 3: 
 3: 
 3: There were 2 NOTEs
-3: Setting the LD random seed to -277892225
+3: Setting the LD random seed to -1180869
 3: 
 3: Generated 331705 of the 331705 non-bonded parameter combinations
 3: 
@@ -226881,11 +226791,11 @@
 3: Note that mdrun will redetermine rlist based on the actual pair-list setup
 3: 
 3: This run will generate roughly 0 Mb of data
-3: [       OK ] GmxApiTest.CreateApiWorkflow (135 ms)
-3: [----------] 2 tests from GmxApiTest (286 ms total)
+3: [       OK ] GmxApiTest.CreateApiWorkflow (143 ms)
+3: [----------] 2 tests from GmxApiTest (298 ms total)
 3: 
 3: [----------] Global test environment tear-down
-3: [==========] 2 tests from 1 test suite ran. (291 ms total)
+3: [==========] 2 tests from 1 test suite ran. (302 ms total)
 3: [  PASSED  ] 2 tests.
  3/96 Test  #3: GmxapiInternalInterfaceTests .................   Passed    0.37 sec
 test 4
@@ -226898,8 +226808,8 @@
 4: [----------] Global test environment set-up.
 4: [----------] 2 tests from GmxApiTest
 4: [ RUN      ] GmxApiTest.BuildApiWorkflowImpl
-4: Setting the LD random seed to -1117861683
-4: Setting the LD random seed to -1234052098
+4: Setting the LD random seed to 980793186
+4: Setting the LD random seed to -1551894537
 4: 
 4: Generated 331705 of the 331705 non-bonded parameter combinations
 4: Generating 1-4 interactions: fudge = 0.5
@@ -226925,14 +226835,6 @@
 4: 
 4: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 4: 
-4: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/workflow/tests/Testing/Temporary/GmxApiTest_BuildApiWorkflowImpl_input.mdp]:
-4:   You are using a plain Coulomb cut-off, which might produce artifacts.
-4:   You might want to consider using PME electrostatics.
-4: 
-4: 
-4: 
-4: There were 2 NOTEs
-4: 
 4: Calculated rlist for 1x1 atom pair-list as 1.077 nm, buffer size 0.077 nm
 4: 
 4: Set rlist, assuming 4x4 atom pair-list, to 1.057 nm, buffer size 0.057 nm
@@ -226941,6 +226843,14 @@
 4: 
 4: This run will generate roughly 0 Mb of data
 4: 
+4: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/api/gmxapi/cpp/workflow/tests/Testing/Temporary/GmxApiTest_BuildApiWorkflowImpl_input.mdp]:
+4:   You are using a plain Coulomb cut-off, which might produce artifacts.
+4:   You might want to consider using PME electrostatics.
+4: 
+4: 
+4: 
+4: There were 2 NOTEs
+4: 
 4: Generated 331705 of the 331705 1-4 parameter combinations
 4: 
 4: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -226974,16 +226884,16 @@
 4: Note that mdrun will redetermine rlist based on the actual pair-list setup
 4: 
 4: This run will generate roughly 0 Mb of data
-4: [       OK ] GmxApiTest.BuildApiWorkflowImpl (180 ms)
+4: [       OK ] GmxApiTest.BuildApiWorkflowImpl (194 ms)
 4: [ RUN      ] GmxApiTest.CreateApiWorkflow
-4: Setting the LD random seed to -1343907928
-4: Setting the LD random seed to -160740355
+4: Setting the LD random seed to 1039793623
+4: Setting the LD random seed to -302651426
 4: 
 4: Generated 331705 of the 331705 non-bonded parameter combinations
-4: Generating 1-4 interactions: fudge = 0.5
 4: 
 4: Generated 331705 of the 331705 non-bonded parameter combinations
 4: Generating 1-4 interactions: fudge = 0.5
+4: Generating 1-4 interactions: fudge = 0.5
 4: 
 4: Generated 331705 of the 331705 1-4 parameter combinations
 4: 
@@ -227053,12 +226963,12 @@
 4: 
 4: This run will generate roughly 0 Mb of data
 4: [       OK ] GmxApiTest.CreateApiWorkflow (143 ms)
-4: [----------] 2 tests from GmxApiTest (323 ms total)
+4: [----------] 2 tests from GmxApiTest (338 ms total)
 4: 
 4: [----------] Global test environment tear-down
-4: [==========] 2 tests from 1 test suite ran. (334 ms total)
+4: [==========] 2 tests from 1 test suite ran. (350 ms total)
 4: [  PASSED  ] 2 tests.
- 4/96 Test  #4: GmxapiInternalsMpiTests ......................   Passed    0.50 sec
+ 4/96 Test  #4: GmxapiInternalsMpiTests ......................   Passed    0.52 sec
 test 5
       Start  5: NbLibListedForcesTests
 
@@ -227083,8 +226993,8 @@
 5: [ RUN      ] NBlibTest.EndToEndListedComparison
 5: [       OK ] NBlibTest.EndToEndListedComparison (0 ms)
 5: [ RUN      ] NBlibTest.shiftForcesAreCorrect
-5: [       OK ] NBlibTest.shiftForcesAreCorrect (12 ms)
-5: [----------] 8 tests from NBlibTest (14 ms total)
+5: [       OK ] NBlibTest.shiftForcesAreCorrect (11 ms)
+5: [----------] 8 tests from NBlibTest (12 ms total)
 5: 
 5: [----------] 1 test from Kernels
 5: [ RUN      ] Kernels.HarmonicScalarKernelCanCompute
@@ -227111,7 +227021,7 @@
 5: [       OK ] ThreeCenter.ListedForcesQuarticAngleTest (0 ms)
 5: [ RUN      ] ThreeCenter.ListedForcesRestrictedAngleTest
 5: [       OK ] ThreeCenter.ListedForcesRestrictedAngleTest (0 ms)
-5: [----------] 7 tests from ThreeCenter (0 ms total)
+5: [----------] 7 tests from ThreeCenter (1 ms total)
 5: 
 5: [----------] 5 tests from TwoCenter
 5: [ RUN      ] TwoCenter.ListedForcesHarmonicBondTest
@@ -227222,9 +227132,9 @@
 5: [----------] 1 test from ListedTransformations (0 ms total)
 5: 
 5: [----------] Global test environment tear-down
-5: [==========] 44 tests from 22 test suites ran. (18 ms total)
+5: [==========] 44 tests from 22 test suites ran. (17 ms total)
 5: [  PASSED  ] 44 tests.
- 5/96 Test  #5: NbLibListedForcesTests .......................   Passed    0.10 sec
+ 5/96 Test  #5: NbLibListedForcesTests .......................   Passed    0.09 sec
 test 6
       Start  6: NbLibSamplesTestArgon
 
@@ -227235,7 +227145,7 @@
 6:   final forces on particle 0: x -0.412993 y -1.098256 z -0.113191
 6: initial position of particle 0: x 0.794000 y 1.439000 z 0.610000
 6:   final position of particle 0: x 0.789162 y 1.271508 z 0.819867
- 6/96 Test  #6: NbLibSamplesTestArgon ........................   Passed    0.07 sec
+ 6/96 Test  #6: NbLibSamplesTestArgon ........................   Passed    0.06 sec
 test 7
       Start  7: NbLibSamplesTestMethaneWater
 
@@ -227244,7 +227154,7 @@
 7: Test timeout computed to be: 1500
 7: initial position of particle 0: x 0.005000 y 0.600000 z 0.244000
 7:   final position of particle 9: x 77.358398 y 5.324894 z -80.600098
- 7/96 Test  #7: NbLibSamplesTestMethaneWater .................   Passed    0.07 sec
+ 7/96 Test  #7: NbLibSamplesTestMethaneWater .................   Passed    0.06 sec
 test 8
       Start  8: NbLibUtilTests
 
@@ -227262,14 +227172,14 @@
 8: [       OK ] NBlibTest.checkNumericValuesHasInf (0 ms)
 8: [ RUN      ] NBlibTest.GeneratedVelocitiesAreCorrect
 8: Velocities were taken from a Maxwell distribution at 300 K
-8: [       OK ] NBlibTest.GeneratedVelocitiesAreCorrect (0 ms)
+8: [       OK ] NBlibTest.GeneratedVelocitiesAreCorrect (1 ms)
 8: [ RUN      ] NBlibTest.generateVelocitySize
 8: Velocities were taken from a Maxwell distribution at 300 K
 8: [       OK ] NBlibTest.generateVelocitySize (0 ms)
 8: [ RUN      ] NBlibTest.generateVelocityCheckNumbers
 8: Velocities were taken from a Maxwell distribution at 300 K
 8: [       OK ] NBlibTest.generateVelocityCheckNumbers (0 ms)
-8: [----------] 6 tests from NBlibTest (0 ms total)
+8: [----------] 6 tests from NBlibTest (1 ms total)
 8: 
 8: [----------] 10 tests from NblibTraitsUtils
 8: [ RUN      ] NblibTraitsUtils.FuseTwo
@@ -227295,7 +227205,7 @@
 8: [----------] 10 tests from NblibTraitsUtils (0 ms total)
 8: 
 8: [----------] Global test environment tear-down
-8: [==========] 16 tests from 2 test suites ran. (0 ms total)
+8: [==========] 16 tests from 2 test suites ran. (1 ms total)
 8: [  PASSED  ] 16 tests.
  8/96 Test  #8: NbLibUtilTests ...............................   Passed    0.09 sec
 test 9
@@ -227346,7 +227256,7 @@
 9: [ RUN      ] NBlibTest.AtWorks
 9: [       OK ] NBlibTest.AtWorks (0 ms)
 9: [ RUN      ] NBlibTest.AtThrows
-9: [       OK ] NBlibTest.AtThrows (1 ms)
+9: [       OK ] NBlibTest.AtThrows (0 ms)
 9: [ RUN      ] NBlibTest.MoleculeThrowsSameParticleTypeNameDifferentMass
 9: [       OK ] NBlibTest.MoleculeThrowsSameParticleTypeNameDifferentMass (0 ms)
 9: [ RUN      ] NBlibTest.MoleculeDontThrowsSameParticleTypeNameDifferentMass
@@ -227391,7 +227301,7 @@
 9: [       OK ] NBlibTest.TopologyInvalidParticleInInteractionThrows (0 ms)
 9: [ RUN      ] NBlibTest.toGmxExclusionBlockWorks
 9: [       OK ] NBlibTest.toGmxExclusionBlockWorks (0 ms)
-9: [----------] 41 tests from NBlibTest (4 ms total)
+9: [----------] 41 tests from NBlibTest (1 ms total)
 9: 
 9: [----------] 15 tests from NbnxmSetupTest
 9: [ RUN      ] NbnxmSetupTest.findNumEnergyGroups
@@ -227432,9 +227342,9 @@
 9: [----------] 1 test from VirialsTest (0 ms total)
 9: 
 9: [----------] Global test environment tear-down
-9: [==========] 57 tests from 3 test suites ran. (5 ms total)
+9: [==========] 57 tests from 3 test suites ran. (2 ms total)
 9: [  PASSED  ] 57 tests.
- 9/96 Test  #9: NbLibSetupTests ..............................   Passed    0.11 sec
+ 9/96 Test  #9: NbLibSetupTests ..............................   Passed    0.09 sec
 test 10
       Start 10: NbLibTprTests
 
@@ -227479,7 +227389,7 @@
 10: Note that mdrun will redetermine rlist based on the actual pair-list setup
 10: 
 10: This run will generate roughly 0 Mb of data
-10: [       OK ] TprReaderTest.SimDBTprIsCreated (6 ms)
+10: [       OK ] TprReaderTest.SimDBTprIsCreated (5 ms)
 10: [ RUN      ] TprReaderTest.Spc2Reads
 10: 
 10: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests/Testing/Temporary/TprReaderTest_Spc2Reads_input.mdp]:
@@ -227525,7 +227435,7 @@
 10: Note that mdrun will redetermine rlist based on the actual pair-list setup
 10: 
 10: This run will generate roughly 0 Mb of data
-10: [       OK ] TprReaderTest.Spc2Reads (5 ms)
+10: [       OK ] TprReaderTest.Spc2Reads (4 ms)
 10: [ RUN      ] TprReaderTest.ArgonImportedDataIsCorrect
 10: 
 10: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests/Testing/Temporary/TprReaderTest_ArgonImportedDataIsCorrect_input.mdp]:
@@ -227561,7 +227471,7 @@
 10: Note that mdrun will redetermine rlist based on the actual pair-list setup
 10: 
 10: This run will generate roughly 0 Mb of data
-10: [       OK ] TprReaderTest.ArgonImportedDataIsCorrect (6 ms)
+10: [       OK ] TprReaderTest.ArgonImportedDataIsCorrect (5 ms)
 10: [ RUN      ] TprReaderTest.FCfromTprDataWorks
 10: 
 10: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/api/nblib/tests/Testing/Temporary/TprReaderTest_FCfromTprDataWorks_input.mdp]:
@@ -227597,13 +227507,13 @@
 10: Note that mdrun will redetermine rlist based on the actual pair-list setup
 10: 
 10: This run will generate roughly 0 Mb of data
-10: [       OK ] TprReaderTest.FCfromTprDataWorks (3 ms)
-10: [----------] 4 tests from TprReaderTest (21 ms total)
+10: [       OK ] TprReaderTest.FCfromTprDataWorks (5 ms)
+10: [----------] 4 tests from TprReaderTest (20 ms total)
 10: 
 10: [----------] Global test environment tear-down
-10: [==========] 4 tests from 1 test suite ran. (27 ms total)
+10: [==========] 4 tests from 1 test suite ran. (25 ms total)
 10: [  PASSED  ] 4 tests.
-10/96 Test #10: NbLibTprTests ................................   Passed    0.12 sec
+10/96 Test #10: NbLibTprTests ................................   Passed    0.10 sec
 test 11
       Start 11: NbLibIntegrationTests
 
@@ -227653,12 +227563,12 @@
 11: [       OK ] NBlibTest.SimulationStateHasCorrectCoordinates (0 ms)
 11: [ RUN      ] NBlibTest.SimulationStateHasCorrectVelocities
 11: [       OK ] NBlibTest.SimulationStateHasCorrectVelocities (0 ms)
-11: [----------] 20 tests from NBlibTest (5 ms total)
+11: [----------] 20 tests from NBlibTest (4 ms total)
 11: 
 11: [----------] Global test environment tear-down
-11: [==========] 20 tests from 1 test suite ran. (5 ms total)
+11: [==========] 20 tests from 1 test suite ran. (4 ms total)
 11: [  PASSED  ] 20 tests.
-11/96 Test #11: NbLibIntegrationTests ........................   Passed    0.09 sec
+11/96 Test #11: NbLibIntegrationTests ........................   Passed    0.08 sec
 test 12
       Start 12: NbLibIntegratorTests
 
@@ -227675,7 +227585,7 @@
 12: [----------] Global test environment tear-down
 12: [==========] 1 test from 1 test suite ran. (0 ms total)
 12: [  PASSED  ] 1 test.
-12/96 Test #12: NbLibIntegratorTests .........................   Passed    0.09 sec
+12/96 Test #12: NbLibIntegratorTests .........................   Passed    0.07 sec
 test 13
       Start 13: TestUtilsUnitTests
 
@@ -227705,7 +227615,7 @@
 13: [       OK ] InteractiveTestHelperTest.DetectsMissingInput (0 ms)
 13: [ RUN      ] InteractiveTestHelperTest.DetectsExtraInput
 13: [       OK ] InteractiveTestHelperTest.DetectsExtraInput (0 ms)
-13: [----------] 10 tests from InteractiveTestHelperTest (2 ms total)
+13: [----------] 10 tests from InteractiveTestHelperTest (1 ms total)
 13: 
 13: [----------] 10 tests from NameOfTestFromTupleTest
 13: [ RUN      ] NameOfTestFromTupleTest.WorksWithEmptyTuple
@@ -227814,7 +227724,7 @@
 13: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithCompoundChanges (0 ms)
 13: [ RUN      ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries
 13: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries (0 ms)
-13: [----------] 37 tests from ReferenceDataTest (4 ms total)
+13: [----------] 37 tests from ReferenceDataTest (2 ms total)
 13: 
 13: [----------] 7 tests from FloatingPointDifferenceTest
 13: [ RUN      ] FloatingPointDifferenceTest.HandlesEqualValues
@@ -227853,12 +227763,12 @@
 13: [       OK ] XvgTests.CheckExtra (0 ms)
 13: [ RUN      ] XvgTests.ReadIncorrect
 13: [       OK ] XvgTests.ReadIncorrect (0 ms)
-13: [----------] 4 tests from XvgTests (1 ms total)
+13: [----------] 4 tests from XvgTests (0 ms total)
 13: 
 13: [----------] Global test environment tear-down
-13: [==========] 75 tests from 7 test suites ran. (8 ms total)
+13: [==========] 75 tests from 7 test suites ran. (5 ms total)
 13: [  PASSED  ] 75 tests.
-13/96 Test #13: TestUtilsUnitTests ...........................   Passed    0.10 sec
+13/96 Test #13: TestUtilsUnitTests ...........................   Passed    0.08 sec
 test 14
       Start 14: TestUtilsMpiUnitTests
 
@@ -227875,7 +227785,7 @@
 14: [----------] Global test environment tear-down
 14: [==========] 1 test from 1 test suite ran. (0 ms total)
 14: [  PASSED  ] 1 test.
-14/96 Test #14: TestUtilsMpiUnitTests ........................   Passed    0.17 sec
+14/96 Test #14: TestUtilsMpiUnitTests ........................   Passed    0.18 sec
 test 15
       Start 15: UtilityUnitTests
 
@@ -228563,7 +228473,7 @@
 15: [       OK ] TreeValueTransformTest.ScopedTransformRules (0 ms)
 15: [ RUN      ] TreeValueTransformTest.CanAssignUserMultiValue
 15: [       OK ] TreeValueTransformTest.CanAssignUserMultiValue (0 ms)
-15: [----------] 7 tests from TreeValueTransformTest (2 ms total)
+15: [----------] 7 tests from TreeValueTransformTest (1 ms total)
 15: 
 15: [----------] 1 test from TreeValueTransformErrorTest
 15: [ RUN      ] TreeValueTransformErrorTest.ConversionError
@@ -228606,7 +228516,7 @@
 15: [       OK ] LoggerTest.LogsToMultipleFiles (0 ms)
 15: [ RUN      ] LoggerTest.LogsToStreamAndFile
 15: [       OK ] LoggerTest.LogsToStreamAndFile (0 ms)
-15: [----------] 7 tests from LoggerTest (2 ms total)
+15: [----------] 7 tests from LoggerTest (1 ms total)
 15: 
 15: [----------] 7 tests from MessageStringCollectorTest
 15: [ RUN      ] MessageStringCollectorTest.CanAddAndClearMessagesNoContext
@@ -228772,7 +228682,7 @@
 15: [       OK ] TextLineWrapperTest.HandlesContinuationCharacter (0 ms)
 15: [ RUN      ] TextLineWrapperTest.WrapsCorrectlyWithExtraWhitespace
 15: [       OK ] TextLineWrapperTest.WrapsCorrectlyWithExtraWhitespace (0 ms)
-15: [----------] 10 tests from TextLineWrapperTest (1 ms total)
+15: [----------] 10 tests from TextLineWrapperTest (0 ms total)
 15: 
 15: [----------] 1 test from CompileTimeStringJoin
 15: [ RUN      ] CompileTimeStringJoin.Works
@@ -228801,7 +228711,7 @@
 15: [       OK ] TextWriterTest.TracksNewlines (0 ms)
 15: [ RUN      ] TextWriterTest.PreservesTrailingWhitespace
 15: [       OK ] TextWriterTest.PreservesTrailingWhitespace (0 ms)
-15: [----------] 6 tests from TextWriterTest (1 ms total)
+15: [----------] 6 tests from TextWriterTest (0 ms total)
 15: 
 15: [----------] 1 test from TypeTraitsTest
 15: [ RUN      ] TypeTraitsTest.IsIntegralConstant
@@ -228879,7 +228789,7 @@
 15: 
 15: [----------] 11 tests from WithInputPaths/PathSearchTest
 15: [ RUN      ] WithInputPaths/PathSearchTest.SearchOperationsWork/0
-15: [       OK ] WithInputPaths/PathSearchTest.SearchOperationsWork/0 (0 ms)
+15: [       OK ] WithInputPaths/PathSearchTest.SearchOperationsWork/0 (1 ms)
 15: [ RUN      ] WithInputPaths/PathSearchTest.SearchOperationsWork/1
 15: [       OK ] WithInputPaths/PathSearchTest.SearchOperationsWork/1 (0 ms)
 15: [ RUN      ] WithInputPaths/PathSearchTest.SearchOperationsWork/2
@@ -228920,12 +228830,12 @@
 15: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest (0 ms total)
 15: 
 15: [----------] Global test environment tear-down
-15: [==========] 420 tests from 65 test suites ran. (18 ms total)
+15: [==========] 420 tests from 65 test suites ran. (11 ms total)
 15: [  PASSED  ] 420 tests.
 15: 
 15:   YOU HAVE 1 DISABLED TEST
 15: 
-15/96 Test #15: UtilityUnitTests .............................   Passed    0.13 sec
+15/96 Test #15: UtilityUnitTests .............................   Passed    0.10 sec
 test 16
       Start 16: UtilityMpiUnitTests
 
@@ -229098,7 +229008,7 @@
 17: [       OK ] NBInteraction/NonbondedFepTest.testKernel/70 (0 ms)
 17: [ RUN      ] NBInteraction/NonbondedFepTest.testKernel/71
 17: [       OK ] NBInteraction/NonbondedFepTest.testKernel/71 (0 ms)
-17: [----------] 72 tests from NBInteraction/NonbondedFepTest (18 ms total)
+17: [----------] 72 tests from NBInteraction/NonbondedFepTest (23 ms total)
 17: 
 17: [----------] 6 tests from NBInteractionShortDistance/NonbondedFepTest
 17: [ RUN      ] NBInteractionShortDistance/NonbondedFepTest.testKernel/0
@@ -229116,9 +229026,9 @@
 17: [----------] 6 tests from NBInteractionShortDistance/NonbondedFepTest (1 ms total)
 17: 
 17: [----------] Global test environment tear-down
-17: [==========] 78 tests from 2 test suites ran. (19 ms total)
+17: [==========] 78 tests from 2 test suites ran. (24 ms total)
 17: [  PASSED  ] 78 tests.
-17/96 Test #17: GmxlibTests ..................................   Passed    0.12 sec
+17/96 Test #17: GmxlibTests ..................................   Passed    0.11 sec
 test 18
       Start 18: MdlibUnitTest
 
@@ -229166,7 +229076,7 @@
 18: [       OK ] CalcvirTest.CanCalculateVirialAtomsOutOfBoxScrewZ (0 ms)
 18: [ RUN      ] CalcvirTest.CanCalculateVirialAtomsOutOfBoxScrewXYZ
 18: [       OK ] CalcvirTest.CanCalculateVirialAtomsOutOfBoxScrewXYZ (0 ms)
-18: [----------] 6 tests from CalcvirTest (1 ms total)
+18: [----------] 6 tests from CalcvirTest (2 ms total)
 18: 
 18: [----------] 2 tests from PrEbinTest
 18: [ RUN      ] PrEbinTest.HandlesAverages
@@ -229248,7 +229158,7 @@
 18: 
 18: [----------] 1 test from UpdateGroupsCog
 18: [ RUN      ] UpdateGroupsCog.ComputesCogs
-18: [       OK ] UpdateGroupsCog.ComputesCogs (0 ms)
+18: [       OK ] UpdateGroupsCog.ComputesCogs (1 ms)
 18: [----------] 1 test from UpdateGroupsCog (1 ms total)
 18: 
 18: [----------] 2 tests from WholeMoleculeTransform
@@ -229284,9 +229194,9 @@
 18: [ RUN      ] WithParameters/ConstraintsTest.SatisfiesConstraints/11
 18: [       OK ] WithParameters/ConstraintsTest.SatisfiesConstraints/11 (0 ms)
 18: [ RUN      ] WithParameters/ConstraintsTest.SatisfiesConstraints/12
-18: [       OK ] WithParameters/ConstraintsTest.SatisfiesConstraints/12 (11 ms)
+18: [       OK ] WithParameters/ConstraintsTest.SatisfiesConstraints/12 (8 ms)
 18: [ RUN      ] WithParameters/ConstraintsTest.SatisfiesConstraints/13
-18: [       OK ] WithParameters/ConstraintsTest.SatisfiesConstraints/13 (11 ms)
+18: [       OK ] WithParameters/ConstraintsTest.SatisfiesConstraints/13 (6 ms)
 18: [ RUN      ] WithParameters/ConstraintsTest.TriangleDetectionWorks/0
 18: [       OK ] WithParameters/ConstraintsTest.TriangleDetectionWorks/0 (0 ms)
 18: [ RUN      ] WithParameters/ConstraintsTest.TriangleDetectionWorks/1
@@ -229315,7 +229225,7 @@
 18: [       OK ] WithParameters/ConstraintsTest.TriangleDetectionWorks/12 (0 ms)
 18: [ RUN      ] WithParameters/ConstraintsTest.TriangleDetectionWorks/13
 18: [       OK ] WithParameters/ConstraintsTest.TriangleDetectionWorks/13 (0 ms)
-18: [----------] 28 tests from WithParameters/ConstraintsTest (29 ms total)
+18: [----------] 28 tests from WithParameters/ConstraintsTest (21 ms total)
 18: 
 18: [----------] 11 tests from WithParameters/EnergyOutputTest
 18: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/0
@@ -229331,26 +229241,26 @@
 18: [       OK ] WithParameters/EnergyOutputTest.CheckOutput/3 (0 ms)
 18: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/4
 18: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_4.edr as single precision energy file
-18: 
Reading energy frame      0 time   10.100         
Reading energy frame      1 time   27.500         
Reading energy frame      2 time   44.900         
Reading energy frame      3 time   62.300         
Reading energy frame      4 time   79.700         
Reading energy frame      5 time   97.100         
Reading energy frame      6 time  114.500         
Reading energy frame      7 time  131.900         
Reading energy frame      8 time  149.300         
Reading energy frame      9 time  166.700         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/4 (10 ms)
+18: 
Reading energy frame      0 time   10.100         
Reading energy frame      1 time   27.500         
Reading energy frame      2 time   44.900         
Reading energy frame      3 time   62.300         
Reading energy frame      4 time   79.700         
Reading energy frame      5 time   97.100         
Reading energy frame      6 time  114.500         
Reading energy frame      7 time  131.900         
Reading energy frame      8 time  149.300         
Reading energy frame      9 time  166.700         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/4 (6 ms)
 18: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/5
 18: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_5.edr as single precision energy file
 18: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/5 (2 ms)
 18: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/6
 18: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_6.edr as single precision energy file
-18: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/6 (2 ms)
+18: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/6 (1 ms)
 18: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/7
 18: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_7.edr as single precision energy file
-18: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/7 (2 ms)
+18: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/7 (1 ms)
 18: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/8
 18: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_8.edr as single precision energy file
-18: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/8 (2 ms)
+18: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/8 (1 ms)
 18: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/9
 18: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_9.edr as single precision energy file
-18: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/9 (2 ms)
+18: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/9 (1 ms)
 18: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/10
 18: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_10.edr as single precision energy file
-18: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/10 (2 ms)
-18: [----------] 11 tests from WithParameters/EnergyOutputTest (32 ms total)
+18: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/10 (1 ms)
+18: [----------] 11 tests from WithParameters/EnergyOutputTest (23 ms total)
 18: 
 18: [----------] 24 tests from SimpleTests/CalculateAcceptanceWeightSimple
 18: [ RUN      ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/0
@@ -229518,7 +229428,7 @@
 18: [       OK ] WithParameters/LangevinTest.SimpleIntegration/15 (0 ms)
 18: [ RUN      ] WithParameters/LangevinTest.SimpleIntegration/16
 18: [       OK ] WithParameters/LangevinTest.SimpleIntegration/16 (0 ms)
-18: [----------] 17 tests from WithParameters/LangevinTest (4 ms total)
+18: [----------] 17 tests from WithParameters/LangevinTest (5 ms total)
 18: 
 18: [----------] 16 tests from WithParameters/LeapFrogTest
 18: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/0
@@ -229534,7 +229444,7 @@
 18: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/5
 18: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/5 (2 ms)
 18: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/6
-18: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/6 (6 ms)
+18: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/6 (4 ms)
 18: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/7
 18: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/7 (0 ms)
 18: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/8
@@ -229542,18 +229452,18 @@
 18: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/9
 18: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/9 (0 ms)
 18: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/10
-18: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/10 (2 ms)
+18: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/10 (1 ms)
 18: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/11
-18: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/11 (2 ms)
+18: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/11 (1 ms)
 18: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/12
-18: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/12 (2 ms)
+18: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/12 (1 ms)
 18: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/13
-18: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/13 (2 ms)
+18: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/13 (1 ms)
 18: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/14
-18: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/14 (2 ms)
+18: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/14 (1 ms)
 18: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/15
 18: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/15 (1 ms)
-18: [----------] 16 tests from WithParameters/LeapFrogTest (26 ms total)
+18: [----------] 16 tests from WithParameters/LeapFrogTest (19 ms total)
 18: 
 18: [----------] 140 tests from Cubic/ParrRahmTest
 18: [ RUN      ] Cubic/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_cubic_box_2_5_boxv__100
@@ -230119,7 +230029,7 @@
 18: [       OK ] Rectilinear/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rect_box_10000_boxv_1 (0 ms)
 18: [ RUN      ] Rectilinear/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rect_box_10000_boxv_100
 18: [       OK ] Rectilinear/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rect_box_10000_boxv_100 (0 ms)
-18: [----------] 140 tests from Rectilinear/ParrRahmTest (22 ms total)
+18: [----------] 140 tests from Rectilinear/ParrRahmTest (21 ms total)
 18: 
 18: [----------] 140 tests from RhombDodecXYSquare/ParrRahmTest
 18: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_rds_box_2_5_boxv__100
@@ -230402,7 +230312,7 @@
 18: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rds_box_10000_boxv_1 (0 ms)
 18: [ RUN      ] RhombDodecXYSquare/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rds_box_10000_boxv_100
 18: [       OK ] RhombDodecXYSquare/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rds_box_10000_boxv_100 (0 ms)
-18: [----------] 140 tests from RhombDodecXYSquare/ParrRahmTest (24 ms total)
+18: [----------] 140 tests from RhombDodecXYSquare/ParrRahmTest (28 ms total)
 18: 
 18: [----------] 140 tests from RhombDodecXYHex/ParrRahmTest
 18: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_rdh_box_2_5_boxv__100
@@ -230685,7 +230595,7 @@
 18: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rdh_box_10000_boxv_1 (0 ms)
 18: [ RUN      ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rdh_box_10000_boxv_100
 18: [       OK ] RhombDodecXYHex/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_rdh_box_10000_boxv_100 (0 ms)
-18: [----------] 140 tests from RhombDodecXYHex/ParrRahmTest (22 ms total)
+18: [----------] 140 tests from RhombDodecXYHex/ParrRahmTest (25 ms total)
 18: 
 18: [----------] 140 tests from TruncOct/ParrRahmTest
 18: [ RUN      ] TruncOct/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_to_box_2_5_boxv__100
@@ -230968,7 +230878,7 @@
 18: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_to_box_10000_boxv_1 (0 ms)
 18: [ RUN      ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_to_box_10000_boxv_100
 18: [       OK ] TruncOct/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_to_box_10000_boxv_100 (0 ms)
-18: [----------] 140 tests from TruncOct/ParrRahmTest (25 ms total)
+18: [----------] 140 tests from TruncOct/ParrRahmTest (19 ms total)
 18: 
 18: [----------] 140 tests from Other/ParrRahmTest
 18: [ RUN      ] Other/ParrRahmTest.Works/Isotropic_pmt_unif_diag_shape_other_box_2_5_boxv__100
@@ -231251,7 +231161,7 @@
 18: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_other_box_10000_boxv_1 (0 ms)
 18: [ RUN      ] Other/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_other_box_10000_boxv_100
 18: [       OK ] Other/ParrRahmTest.Works/Anisotropic_pmt_extreme_shape_other_box_10000_boxv_100 (0 ms)
-18: [----------] 140 tests from Other/ParrRahmTest (22 ms total)
+18: [----------] 140 tests from Other/ParrRahmTest (16 ms total)
 18: 
 18: [----------] 13 tests from WithParameters/SettleTest
 18: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/0
@@ -231269,7 +231179,7 @@
 18: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/6
 18: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/6 (0 ms)
 18: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/7
-18: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/7 (1 ms)
+18: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/7 (0 ms)
 18: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/8
 18: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/8 (1 ms)
 18: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/9
@@ -231280,12 +231190,12 @@
 18: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/11 (1 ms)
 18: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/12
 18: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/12 (1 ms)
-18: [----------] 13 tests from WithParameters/SettleTest (11 ms total)
+18: [----------] 13 tests from WithParameters/SettleTest (9 ms total)
 18: 
 18: [----------] Global test environment tear-down
-18: [==========] 1032 tests from 27 test suites ran. (252 ms total)
+18: [==========] 1032 tests from 27 test suites ran. (222 ms total)
 18: [  PASSED  ] 1032 tests.
-18/96 Test #18: MdlibUnitTest ................................   Passed    0.41 sec
+18/96 Test #18: MdlibUnitTest ................................   Passed    0.38 sec
 test 19
       Start 19: AwhTest
 
@@ -231306,27 +231216,27 @@
 19: [----------] 1 test from BiasTest
 19: [ RUN      ] BiasTest.DetectsCovering
 19: [       OK ] BiasTest.DetectsCovering (0 ms)
-19: [----------] 1 test from BiasTest (1 ms total)
+19: [----------] 1 test from BiasTest (0 ms total)
 19: 
 19: [----------] 1 test from biasGridTest
 19: [ RUN      ] biasGridTest.neighborhood
-19: [       OK ] biasGridTest.neighborhood (1 ms)
-19: [----------] 1 test from biasGridTest (1 ms total)
+19: [       OK ] biasGridTest.neighborhood (0 ms)
+19: [----------] 1 test from biasGridTest (0 ms total)
 19: 
 19: [----------] 2 tests from BiasFepLambdaStateTest
 19: [ RUN      ] BiasFepLambdaStateTest.DetectsCovering
-19: [       OK ] BiasFepLambdaStateTest.DetectsCovering (2 ms)
+19: [       OK ] BiasFepLambdaStateTest.DetectsCovering (1 ms)
 19: [ RUN      ] BiasFepLambdaStateTest.DetectsLargeNegativeForeignEnergy
 19: [       OK ] BiasFepLambdaStateTest.DetectsLargeNegativeForeignEnergy (0 ms)
-19: [----------] 2 tests from BiasFepLambdaStateTest (3 ms total)
+19: [----------] 2 tests from BiasFepLambdaStateTest (1 ms total)
 19: 
 19: [----------] 8 tests from WithParameters/BiasTest
 19: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/0
-19: [       OK ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/0 (1 ms)
+19: [       OK ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/0 (0 ms)
 19: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/1
-19: [       OK ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/1 (1 ms)
+19: [       OK ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/1 (0 ms)
 19: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/2
-19: [       OK ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/2 (1 ms)
+19: [       OK ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/2 (0 ms)
 19: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/3
 19: [       OK ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/3 (0 ms)
 19: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/4
@@ -231337,14 +231247,14 @@
 19: [       OK ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/6 (0 ms)
 19: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/7
 19: [       OK ] WithParameters/BiasTest.ForcesBiasPmfWeightSum/7 (0 ms)
-19: [----------] 8 tests from WithParameters/BiasTest (8 ms total)
+19: [----------] 8 tests from WithParameters/BiasTest (3 ms total)
 19: 
 19: [----------] 2 tests from WithParameters/BiasStateTest
 19: [ RUN      ] WithParameters/BiasStateTest.InitializesFromFile/0
 19: [       OK ] WithParameters/BiasStateTest.InitializesFromFile/0 (0 ms)
 19: [ RUN      ] WithParameters/BiasStateTest.InitializesFromFile/1
 19: [       OK ] WithParameters/BiasStateTest.InitializesFromFile/1 (0 ms)
-19: [----------] 2 tests from WithParameters/BiasStateTest (1 ms total)
+19: [----------] 2 tests from WithParameters/BiasStateTest (0 ms total)
 19: 
 19: [----------] 1 test from WithParameters/UserInputTest
 19: [ RUN      ] WithParameters/UserInputTest.ParsesUser3DInput/0
@@ -231353,28 +231263,28 @@
 19: 
 19: [----------] 4 tests from WithParameters/BiasFepLambdaStateTest
 19: [ RUN      ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/0
-19: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/0 (6 ms)
+19: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/0 (4 ms)
 19: [ RUN      ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/1
-19: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/1 (6 ms)
+19: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/1 (3 ms)
 19: [ RUN      ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/2
-19: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/2 (7 ms)
+19: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/2 (4 ms)
 19: [ RUN      ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/3
-19: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/3 (7 ms)
-19: [----------] 4 tests from WithParameters/BiasFepLambdaStateTest (30 ms total)
+19: [       OK ] WithParameters/BiasFepLambdaStateTest.ForcesBiasPmf/3 (4 ms)
+19: [----------] 4 tests from WithParameters/BiasFepLambdaStateTest (17 ms total)
 19: 
 19: [----------] 3 tests from WithParameters/FrictionMetricTest
 19: [ RUN      ] WithParameters/FrictionMetricTest.FrictionMetric/0
 19: [       OK ] WithParameters/FrictionMetricTest.FrictionMetric/0 (0 ms)
 19: [ RUN      ] WithParameters/FrictionMetricTest.FrictionMetric/1
-19: [       OK ] WithParameters/FrictionMetricTest.FrictionMetric/1 (1 ms)
+19: [       OK ] WithParameters/FrictionMetricTest.FrictionMetric/1 (0 ms)
 19: [ RUN      ] WithParameters/FrictionMetricTest.FrictionMetric/2
-19: [       OK ] WithParameters/FrictionMetricTest.FrictionMetric/2 (21 ms)
-19: [----------] 3 tests from WithParameters/FrictionMetricTest (25 ms total)
+19: [       OK ] WithParameters/FrictionMetricTest.FrictionMetric/2 (12 ms)
+19: [----------] 3 tests from WithParameters/FrictionMetricTest (14 ms total)
 19: 
 19: [----------] Global test environment tear-down
-19: [==========] 25 tests from 9 test suites ran. (72 ms total)
+19: [==========] 25 tests from 9 test suites ran. (40 ms total)
 19: [  PASSED  ] 25 tests.
-19/96 Test #19: AwhTest ......................................   Passed    0.17 sec
+19/96 Test #19: AwhTest ......................................   Passed    0.12 sec
 test 20
       Start 20: DensityFittingAppliedForcesUnitTest
 
@@ -231387,7 +231297,7 @@
 20: [ RUN      ] DensityFittingTest.ForceProviderLackingInputThrows
 20: [       OK ] DensityFittingTest.ForceProviderLackingInputThrows (0 ms)
 20: [ RUN      ] DensityFittingTest.SingleAtom
-20: [       OK ] DensityFittingTest.SingleAtom (1 ms)
+20: [       OK ] DensityFittingTest.SingleAtom (0 ms)
 20: [----------] 2 tests from DensityFittingTest (1 ms total)
 20: 
 20: [----------] 7 tests from DensityFittingAmplitudeLookupTest
@@ -231429,12 +231339,12 @@
 20: [       OK ] DensityFittingOptionsTest.KvtToInternal (0 ms)
 20: [ RUN      ] DensityFittingOptionsTest.RoundTripForInternalsIsIdempotent
 20: [       OK ] DensityFittingOptionsTest.RoundTripForInternalsIsIdempotent (0 ms)
-20: [----------] 8 tests from DensityFittingOptionsTest (1 ms total)
+20: [----------] 8 tests from DensityFittingOptionsTest (0 ms total)
 20: 
 20: [----------] Global test environment tear-down
-20: [==========] 18 tests from 4 test suites ran. (3 ms total)
+20: [==========] 18 tests from 4 test suites ran. (1 ms total)
 20: [  PASSED  ] 18 tests.
-20/96 Test #20: DensityFittingAppliedForcesUnitTest ..........   Passed    0.09 sec
+20/96 Test #20: DensityFittingAppliedForcesUnitTest ..........   Passed    0.07 sec
 test 21
       Start 21: QMMMAppliedForcesUnitTest
 
@@ -231479,7 +231389,7 @@
 21: There were 3 NOTEs
 21: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersFirstQMNoLink_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 21: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersFirstQMNoLink_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-21: Setting the LD random seed to -52476771
+21: Setting the LD random seed to -155969
 21: 
 21: Generated 10 of the 10 non-bonded parameter combinations
 21: 
@@ -231492,7 +231402,7 @@
 21: There are:     4      Water residues
 21: 
 21: This run will generate roughly 0 Mb of data
-21: [       OK ] QMMMTopologyPreprocessorTest.FourWatersFirstQMNoLink (7 ms)
+21: [       OK ] QMMMTopologyPreprocessorTest.FourWatersFirstQMNoLink (3 ms)
 21: [ RUN      ] QMMMTopologyPreprocessorTest.FourWatersSeondAndForthQMNoLink
 21: 
 21: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersSeondAndForthQMNoLink_4water.mdp]:
@@ -231517,7 +231427,7 @@
 21: There were 3 NOTEs
 21: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersSeondAndForthQMNoLink_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 21: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersSeondAndForthQMNoLink_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-21: Setting the LD random seed to -574646443
+21: Setting the LD random seed to -624967894
 21: 
 21: Generated 10 of the 10 non-bonded parameter combinations
 21: 
@@ -231530,7 +231440,7 @@
 21: There are:     4      Water residues
 21: 
 21: This run will generate roughly 0 Mb of data
-21: [       OK ] QMMMTopologyPreprocessorTest.FourWatersSeondAndForthQMNoLink (5 ms)
+21: [       OK ] QMMMTopologyPreprocessorTest.FourWatersSeondAndForthQMNoLink (2 ms)
 21: [ RUN      ] QMMMTopologyPreprocessorTest.FourWatersFirstQMWithLink
 21: 
 21: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersFirstQMWithLink_4water.mdp]:
@@ -231555,7 +231465,7 @@
 21: There were 3 NOTEs
 21: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersFirstQMWithLink_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 21: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_FourWatersFirstQMWithLink_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-21: Setting the LD random seed to -620822561
+21: Setting the LD random seed to -83947561
 21: 
 21: Generated 10 of the 10 non-bonded parameter combinations
 21: 
@@ -231568,7 +231478,7 @@
 21: There are:     4      Water residues
 21: 
 21: This run will generate roughly 0 Mb of data
-21: [       OK ] QMMMTopologyPreprocessorTest.FourWatersFirstQMWithLink (5 ms)
+21: [       OK ] QMMMTopologyPreprocessorTest.FourWatersFirstQMWithLink (2 ms)
 21: [ RUN      ] QMMMTopologyPreprocessorTest.AlanineDipeptideWithLinksNoConstraints
 21: 
 21: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_AlanineDipeptideWithLinksNoConstraints_alanine_vacuo.mdp]:
@@ -231593,7 +231503,7 @@
 21: There were 3 NOTEs
 21: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_AlanineDipeptideWithLinksNoConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 21: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_AlanineDipeptideWithLinksNoConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-21: Setting the LD random seed to -2398497
+21: Setting the LD random seed to -206877985
 21: 
 21: Generated 2145 of the 2145 non-bonded parameter combinations
 21: 
@@ -231615,7 +231525,7 @@
 21: Note that mdrun will redetermine rlist based on the actual pair-list setup
 21: 
 21: This run will generate roughly 0 Mb of data
-21: [       OK ] QMMMTopologyPreprocessorTest.AlanineDipeptideWithLinksNoConstraints (17 ms)
+21: [       OK ] QMMMTopologyPreprocessorTest.AlanineDipeptideWithLinksNoConstraints (9 ms)
 21: [ RUN      ] QMMMTopologyPreprocessorTest.AlanineDipeptideWithLinksWithConstraints
 21: 
 21: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_AlanineDipeptideWithLinksWithConstraints_alanine_vacuo.mdp]:
@@ -231651,7 +231561,7 @@
 21: There were 5 NOTEs
 21: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_AlanineDipeptideWithLinksWithConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 21: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_AlanineDipeptideWithLinksWithConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-21: Setting the LD random seed to -409608333
+21: Setting the LD random seed to -1075087393
 21: 
 21: Generated 2145 of the 2145 non-bonded parameter combinations
 21: 
@@ -231675,7 +231585,7 @@
 21: Note that mdrun will redetermine rlist based on the actual pair-list setup
 21: 
 21: This run will generate roughly 0 Mb of data
-21: [       OK ] QMMMTopologyPreprocessorTest.AlanineDipeptideWithLinksWithConstraints (14 ms)
+21: [       OK ] QMMMTopologyPreprocessorTest.AlanineDipeptideWithLinksWithConstraints (7 ms)
 21: [ RUN      ] QMMMTopologyPreprocessorTest.RemovingQMVsites
 21: 
 21: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_RemovingQMVsites_vsite_test.mdp]:
@@ -231699,7 +231609,7 @@
 21: There were 3 NOTEs
 21: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_RemovingQMVsites_vsite_test.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 21: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/qmmm/tests/Testing/Temporary/QMMMTopologyPreprocessorTest_RemovingQMVsites_vsite_test.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-21: Setting the LD random seed to 1537146607
+21: Setting the LD random seed to 2139611063
 21: 
 21: Generated 3 of the 6 non-bonded parameter combinations
 21: 
@@ -231713,8 +231623,8 @@
 21: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 21: 
 21: This run will generate roughly 0 Mb of data
-21: [       OK ] QMMMTopologyPreprocessorTest.RemovingQMVsites (4 ms)
-21: [----------] 7 tests from QMMMTopologyPreprocessorTest (54 ms total)
+21: [       OK ] QMMMTopologyPreprocessorTest.RemovingQMVsites (3 ms)
+21: [----------] 7 tests from QMMMTopologyPreprocessorTest (29 ms total)
 21: 
 21: [----------] 9 tests from QMMMOptionsTest
 21: [ RUN      ] QMMMOptionsTest.DefaultParameters
@@ -231735,7 +231645,7 @@
 21: [       OK ] QMMMOptionsTest.InternalsToKvtAndBack (0 ms)
 21: [ RUN      ] QMMMOptionsTest.CP2KInputProcessing
 21: [       OK ] QMMMOptionsTest.CP2KInputProcessing (0 ms)
-21: [----------] 9 tests from QMMMOptionsTest (2 ms total)
+21: [----------] 9 tests from QMMMOptionsTest (1 ms total)
 21: 
 21: [----------] 1 test from QMMMForceProviderTest
 21: [ RUN      ] QMMMForceProviderTest.CanConstructOrNot
@@ -231748,9 +231658,9 @@
 21: [----------] 1 test from QMMMTest (0 ms total)
 21: 
 21: [----------] Global test environment tear-down
-21: [==========] 21 tests from 5 test suites ran. (58 ms total)
+21: [==========] 21 tests from 5 test suites ran. (32 ms total)
 21: [  PASSED  ] 21 tests.
-21/96 Test #21: QMMMAppliedForcesUnitTest ....................   Passed    0.15 sec
+21/96 Test #21: QMMMAppliedForcesUnitTest ....................   Passed    0.11 sec
 test 22
       Start 22: ColvarsAppliedForcesUnitTest
 
@@ -231797,7 +231707,7 @@
 22: There were 3 NOTEs
 22: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsOptionsTest_InternalsToKvtAndBack_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 22: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsOptionsTest_InternalsToKvtAndBack_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-22: Setting the LD random seed to -18981010
+22: Setting the LD random seed to 127791027
 22: 
 22: Generated 10 of the 10 non-bonded parameter combinations
 22: 
@@ -231810,10 +231720,10 @@
 22: There are:     4      Water residues
 22: 
 22: This run will generate roughly 0 Mb of data
-22: [       OK ] ColvarsOptionsTest.InternalsToKvtAndBack (9 ms)
+22: [       OK ] ColvarsOptionsTest.InternalsToKvtAndBack (11 ms)
 22: [ RUN      ] ColvarsOptionsTest.RetrieveEdrFilename
 22: [       OK ] ColvarsOptionsTest.RetrieveEdrFilename (0 ms)
-22: [----------] 6 tests from ColvarsOptionsTest (10 ms total)
+22: [----------] 6 tests from ColvarsOptionsTest (12 ms total)
 22: 
 22: [----------] 4 tests from ColvarsPreProcessorTest
 22: [ RUN      ] ColvarsPreProcessorTest.CanConstructColvarsPreProcess
@@ -231840,7 +231750,7 @@
 22: There were 3 NOTEs
 22: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CanConstructColvarsPreProcess_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 22: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CanConstructColvarsPreProcess_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-22: Setting the LD random seed to 1065218043
+22: Setting the LD random seed to 1072680787
 22: 
 22: Generated 10 of the 10 non-bonded parameter combinations
 22: 
@@ -231853,7 +231763,7 @@
 22: There are:     4      Water residues
 22: 
 22: This run will generate roughly 0 Mb of data
-22: [       OK ] ColvarsPreProcessorTest.CanConstructColvarsPreProcess (4 ms)
+22: [       OK ] ColvarsPreProcessorTest.CanConstructColvarsPreProcess (6 ms)
 22: [ RUN      ] ColvarsPreProcessorTest.CheckValuesFourWaters
 22: 
 22: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CheckValuesFourWaters_4water.mdp]:
@@ -231878,7 +231788,7 @@
 22: There were 3 NOTEs
 22: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CheckValuesFourWaters_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 22: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CheckValuesFourWaters_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-22: Setting the LD random seed to -140846113
+22: Setting the LD random seed to -37864033
 22: 
 22: Generated 10 of the 10 non-bonded parameter combinations
 22: 
@@ -231891,7 +231801,7 @@
 22: There are:     4      Water residues
 22: 
 22: This run will generate roughly 0 Mb of data
-22: [       OK ] ColvarsPreProcessorTest.CheckValuesFourWaters (5 ms)
+22: [       OK ] ColvarsPreProcessorTest.CheckValuesFourWaters (7 ms)
 22: [ RUN      ] ColvarsPreProcessorTest.CheckNestedInputFiles
 22: 
 22: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CheckNestedInputFiles_4water.mdp]:
@@ -231916,7 +231826,7 @@
 22: There were 3 NOTEs
 22: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CheckNestedInputFiles_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 22: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_CheckNestedInputFiles_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-22: Setting the LD random seed to -17843212
+22: Setting the LD random seed to -179863753
 22: 
 22: Generated 10 of the 10 non-bonded parameter combinations
 22: 
@@ -231929,7 +231839,7 @@
 22: There are:     4      Water residues
 22: 
 22: This run will generate roughly 0 Mb of data
-22: [       OK ] ColvarsPreProcessorTest.CheckNestedInputFiles (5 ms)
+22: [       OK ] ColvarsPreProcessorTest.CheckNestedInputFiles (7 ms)
 22: [ RUN      ] ColvarsPreProcessorTest.WrongColvarsInput
 22: 
 22: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_WrongColvarsInput_4water.mdp]:
@@ -231954,7 +231864,7 @@
 22: There were 3 NOTEs
 22: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_WrongColvarsInput_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 22: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsPreProcessorTest_WrongColvarsInput_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-22: Setting the LD random seed to -1208092042
+22: Setting the LD random seed to -1210106893
 22: 
 22: Generated 10 of the 10 non-bonded parameter combinations
 22: 
@@ -231967,8 +231877,8 @@
 22: There are:     4      Water residues
 22: 
 22: This run will generate roughly 0 Mb of data
-22: [       OK ] ColvarsPreProcessorTest.WrongColvarsInput (4 ms)
-22: [----------] 4 tests from ColvarsPreProcessorTest (19 ms total)
+22: [       OK ] ColvarsPreProcessorTest.WrongColvarsInput (6 ms)
+22: [----------] 4 tests from ColvarsPreProcessorTest (28 ms total)
 22: 
 22: [----------] 5 tests from ColvarsForceProviderTest
 22: [ RUN      ] ColvarsForceProviderTest.CanConstructOrNot
@@ -231997,7 +231907,7 @@
 22: There were 3 NOTEs
 22: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_SimpleInputs_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 22: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_SimpleInputs_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-22: Setting the LD random seed to -1959023882
+22: Setting the LD random seed to -94421045
 22: 
 22: Generated 10 of the 10 non-bonded parameter combinations
 22: 
@@ -232010,7 +231920,7 @@
 22: There are:     4      Water residues
 22: 
 22: This run will generate roughly 0 Mb of data
-22: [       OK ] ColvarsForceProviderTest.SimpleInputs (4 ms)
+22: [       OK ] ColvarsForceProviderTest.SimpleInputs (5 ms)
 22: [ RUN      ] ColvarsForceProviderTest.WrongColvarsInput
 22: 
 22: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_WrongColvarsInput_4water.mdp]:
@@ -232035,7 +231945,7 @@
 22: There were 3 NOTEs
 22: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_WrongColvarsInput_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 22: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_WrongColvarsInput_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-22: Setting the LD random seed to -603988041
+22: Setting the LD random seed to -105127553
 22: 
 22: Generated 10 of the 10 non-bonded parameter combinations
 22: 
@@ -232073,7 +231983,7 @@
 22: There were 3 NOTEs
 22: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_CalculateForces4water_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 22: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_CalculateForces4water_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-22: Setting the LD random seed to -1143243275
+22: Setting the LD random seed to 1836045771
 22: 
 22: Generated 10 of the 10 non-bonded parameter combinations
 22: 
@@ -232086,7 +231996,7 @@
 22: There are:     4      Water residues
 22: 
 22: This run will generate roughly 0 Mb of data
-22: [       OK ] ColvarsForceProviderTest.CalculateForces4water (9 ms)
+22: [       OK ] ColvarsForceProviderTest.CalculateForces4water (12 ms)
 22: [ RUN      ] ColvarsForceProviderTest.CalculateForcesAlanine
 22: 
 22: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_CalculateForcesAlanine_ala.mdp]:
@@ -232111,7 +232021,7 @@
 22: There were 3 NOTEs
 22: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_CalculateForcesAlanine_ala.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 22: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/colvars/tests/Testing/Temporary/ColvarsForceProviderTest_CalculateForcesAlanine_ala.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-22: Setting the LD random seed to -266753
+22: Setting the LD random seed to -40894796
 22: 
 22: Generated 2211 of the 2211 non-bonded parameter combinations
 22: 
@@ -232133,13 +232043,13 @@
 22: Note that mdrun will redetermine rlist based on the actual pair-list setup
 22: 
 22: This run will generate roughly 0 Mb of data
-22: [       OK ] ColvarsForceProviderTest.CalculateForcesAlanine (30 ms)
-22: [----------] 5 tests from ColvarsForceProviderTest (49 ms total)
+22: [       OK ] ColvarsForceProviderTest.CalculateForcesAlanine (22 ms)
+22: [----------] 5 tests from ColvarsForceProviderTest (46 ms total)
 22: 
 22: [----------] Global test environment tear-down
-22: [==========] 16 tests from 4 test suites ran. (79 ms total)
+22: [==========] 16 tests from 4 test suites ran. (87 ms total)
 22: [  PASSED  ] 16 tests.
-22/96 Test #22: ColvarsAppliedForcesUnitTest .................   Passed    0.17 sec
+22/96 Test #22: ColvarsAppliedForcesUnitTest .................   Passed    0.19 sec
 test 23
       Start 23: PlumedAppliedForcesUnitTests
 
@@ -232289,7 +232199,7 @@
 23: There were 3 NOTEs
 23: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/plumed/tests/Testing/Temporary/PlumedOptionsTest_setTopology_spc_and_methane.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 23: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/plumed/tests/Testing/Temporary/PlumedOptionsTest_setTopology_spc_and_methane.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-23: Setting the LD random seed to 1063115768
+23: Setting the LD random seed to -35668145
 23: 
 23: Generated 10 of the 10 non-bonded parameter combinations
 23: 
@@ -232302,7 +232212,7 @@
 23: There are:     4      Water residues
 23: 
 23: This run will generate roughly 0 Mb of data
-23: Setting the LD random seed to 1996439155
+23: Setting the LD random seed to -446202396
 23: 
 23: Generated 3 of the 3 non-bonded parameter combinations
 23: 
@@ -232322,7 +232232,7 @@
 23: Note that mdrun will redetermine rlist based on the actual pair-list setup
 23: 
 23: This run will generate roughly 0 Mb of data
-23: Setting the LD random seed to 2078801663
+23: Setting the LD random seed to -285343897
 23: 
 23: Generated 1 of the 1 non-bonded parameter combinations
 23: 
@@ -232342,7 +232252,7 @@
 23: Note that mdrun will redetermine rlist based on the actual pair-list setup
 23: 
 23: This run will generate roughly 0 Mb of data
-23: Setting the LD random seed to -167908994
+23: Setting the LD random seed to -294126164
 23: 
 23: Generated 1 of the 1 non-bonded parameter combinations
 23: 
@@ -232360,7 +232270,7 @@
 23: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 23: 
 23: This run will generate roughly 0 Mb of data
-23: Setting the LD random seed to -1141314633
+23: Setting the LD random seed to -541859843
 23: 
 23: Generated 1 of the 1 non-bonded parameter combinations
 23: 
@@ -232372,7 +232282,7 @@
 23: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 23: 
 23: This run will generate roughly 0 Mb of data
-23: Setting the LD random seed to -214206621
+23: Setting the LD random seed to -67110154
 23: 
 23: Generated 331705 of the 331705 non-bonded parameter combinations
 23: 
@@ -232397,13 +232307,13 @@
 23: Note that mdrun will redetermine rlist based on the actual pair-list setup
 23: 
 23: This run will generate roughly 0 Mb of data
-23: [       OK ] PlumedOptionsTest.setTopology (214 ms)
-23: [----------] 8 tests from PlumedOptionsTest (216 ms total)
+23: [       OK ] PlumedOptionsTest.setTopology (236 ms)
+23: [----------] 8 tests from PlumedOptionsTest (237 ms total)
 23: 
 23: [----------] Global test environment tear-down
-23: [==========] 8 tests from 1 test suite ran. (216 ms total)
+23: [==========] 8 tests from 1 test suite ran. (237 ms total)
 23: [  PASSED  ] 8 tests.
-23/96 Test #23: PlumedAppliedForcesUnitTests .................   Passed    0.31 sec
+23/96 Test #23: PlumedAppliedForcesUnitTests .................   Passed    0.33 sec
 test 24
       Start 24: PlumedMDTests
 
@@ -232424,12 +232334,12 @@
 24: [----------] 2 tests from SimplePlumedMD/PlumedRun (0 ms total)
 24: 
 24: [----------] Global test environment tear-down
-24: [==========] 2 tests from 1 test suite ran. (6 ms total)
+24: [==========] 2 tests from 1 test suite ran. (5 ms total)
 24: [  PASSED  ] 0 tests.
 24: [  SKIPPED ] 2 tests, listed below:
 24: [  SKIPPED ] SimplePlumedMD/PlumedRun.PlumedSees/0
 24: [  SKIPPED ] SimplePlumedMD/PlumedRun.PlumedDoes/0
-24/96 Test #24: PlumedMDTests ................................   Passed    0.10 sec
+24/96 Test #24: PlumedMDTests ................................   Passed    0.09 sec
 test 25
       Start 25: NNPotAppliedForcesUnitTest
 
@@ -232454,7 +232364,7 @@
 25: [       OK ] NNPotOptionsTest.OutputDefaultValuesWhenActive (0 ms)
 25: [ RUN      ] NNPotOptionsTest.InternalsToKvtAndBack
 25: [       OK ] NNPotOptionsTest.InternalsToKvtAndBack (0 ms)
-25: [----------] 5 tests from NNPotOptionsTest (1 ms total)
+25: [----------] 5 tests from NNPotOptionsTest (0 ms total)
 25: 
 25: [----------] 5 tests from NNPotTopologyPreprocessorTest
 25: [ RUN      ] NNPotTopologyPreprocessorTest.CanConstruct
@@ -232483,7 +232393,7 @@
 25: There were 3 NOTEs
 25: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_FourWatersFirstInQMRegion_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 25: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_FourWatersFirstInQMRegion_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-25: Setting the LD random seed to -136372526
+25: Setting the LD random seed to -1108377671
 25: 
 25: Generated 10 of the 10 non-bonded parameter combinations
 25: 
@@ -232496,7 +232406,7 @@
 25: There are:     4      Water residues
 25: 
 25: This run will generate roughly 0 Mb of data
-25: [       OK ] NNPotTopologyPreprocessorTest.FourWatersFirstInQMRegion (5 ms)
+25: [       OK ] NNPotTopologyPreprocessorTest.FourWatersFirstInQMRegion (3 ms)
 25: [ RUN      ] NNPotTopologyPreprocessorTest.FourWatersSecondAndFourthInQMRegion
 25: 
 25: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_FourWatersSecondAndFourthInQMRegion_4water.mdp]:
@@ -232521,7 +232431,7 @@
 25: There were 3 NOTEs
 25: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_FourWatersSecondAndFourthInQMRegion_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 25: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_FourWatersSecondAndFourthInQMRegion_4water.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-25: Setting the LD random seed to -673229650
+25: Setting the LD random seed to -1250429219
 25: 
 25: Generated 10 of the 10 non-bonded parameter combinations
 25: 
@@ -232534,7 +232444,7 @@
 25: There are:     4      Water residues
 25: 
 25: This run will generate roughly 0 Mb of data
-25: [       OK ] NNPotTopologyPreprocessorTest.FourWatersSecondAndFourthInQMRegion (3 ms)
+25: [       OK ] NNPotTopologyPreprocessorTest.FourWatersSecondAndFourthInQMRegion (2 ms)
 25: [ RUN      ] NNPotTopologyPreprocessorTest.AlanineDipeptideWithLinkAtomsNoConstraints
 25: 
 25: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_AlanineDipeptideWithLinkAtomsNoConstraints_alanine_vacuo.mdp]:
@@ -232559,7 +232469,7 @@
 25: There were 3 NOTEs
 25: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_AlanineDipeptideWithLinkAtomsNoConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 25: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_AlanineDipeptideWithLinkAtomsNoConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-25: Setting the LD random seed to -26477061
+25: Setting the LD random seed to -34183189
 25: 
 25: Generated 2145 of the 2145 non-bonded parameter combinations
 25: 
@@ -232581,7 +232491,7 @@
 25: Note that mdrun will redetermine rlist based on the actual pair-list setup
 25: 
 25: This run will generate roughly 0 Mb of data
-25: [       OK ] NNPotTopologyPreprocessorTest.AlanineDipeptideWithLinkAtomsNoConstraints (12 ms)
+25: [       OK ] NNPotTopologyPreprocessorTest.AlanineDipeptideWithLinkAtomsNoConstraints (7 ms)
 25: [ RUN      ] NNPotTopologyPreprocessorTest.AlanineDipeptideWithLinkAtomsWithConstraints
 25: 
 25: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_AlanineDipeptideWithLinkAtomsWithConstraints_alanine_vacuo.mdp]:
@@ -232617,7 +232527,7 @@
 25: There were 5 NOTEs
 25: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_AlanineDipeptideWithLinkAtomsWithConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 25: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/applied_forces/nnpot/tests/Testing/Temporary/NNPotTopologyPreprocessorTest_AlanineDipeptideWithLinkAtomsWithConstraints_alanine_vacuo.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-25: Setting the LD random seed to -813728809
+25: Setting the LD random seed to -136365066
 25: 
 25: Generated 2145 of the 2145 non-bonded parameter combinations
 25: 
@@ -232641,8 +232551,8 @@
 25: Note that mdrun will redetermine rlist based on the actual pair-list setup
 25: 
 25: This run will generate roughly 0 Mb of data
-25: [       OK ] NNPotTopologyPreprocessorTest.AlanineDipeptideWithLinkAtomsWithConstraints (11 ms)
-25: [----------] 5 tests from NNPotTopologyPreprocessorTest (32 ms total)
+25: [       OK ] NNPotTopologyPreprocessorTest.AlanineDipeptideWithLinkAtomsWithConstraints (7 ms)
+25: [----------] 5 tests from NNPotTopologyPreprocessorTest (21 ms total)
 25: 
 25: [----------] 1 test from NNPotForceProviderTest
 25: [ RUN      ] NNPotForceProviderTest.CanConstruct
@@ -232650,9 +232560,9 @@
 25: [----------] 1 test from NNPotForceProviderTest (0 ms total)
 25: 
 25: [----------] Global test environment tear-down
-25: [==========] 12 tests from 4 test suites ran. (34 ms total)
+25: [==========] 12 tests from 4 test suites ran. (22 ms total)
 25: [  PASSED  ] 12 tests.
-25/96 Test #25: NNPotAppliedForcesUnitTest ...................   Passed    0.13 sec
+25/96 Test #25: NNPotAppliedForcesUnitTest ...................   Passed    0.10 sec
 test 26
       Start 26: AppliedForcesUnitTest
 
@@ -232673,7 +232583,7 @@
 26: [----------] Global test environment tear-down
 26: [==========] 3 tests from 1 test suite ran. (0 ms total)
 26: [  PASSED  ] 3 tests.
-26/96 Test #26: AppliedForcesUnitTest ........................   Passed    0.09 sec
+26/96 Test #26: AppliedForcesUnitTest ........................   Passed    0.07 sec
 test 27
       Start 27: ListedForcesTest
 
@@ -232800,7 +232710,7 @@
 27: [       OK ] Angle/ListedForcesTest.Ifunc/31 (0 ms)
 27: [ RUN      ] Angle/ListedForcesTest.Ifunc/32
 27: [       OK ] Angle/ListedForcesTest.Ifunc/32 (0 ms)
-27: [----------] 33 tests from Angle/ListedForcesTest (11 ms total)
+27: [----------] 33 tests from Angle/ListedForcesTest (10 ms total)
 27: 
 27: [----------] 18 tests from Dihedral/ListedForcesTest
 27: [ RUN      ] Dihedral/ListedForcesTest.Ifunc/0
@@ -232839,7 +232749,7 @@
 27: [       OK ] Dihedral/ListedForcesTest.Ifunc/16 (0 ms)
 27: [ RUN      ] Dihedral/ListedForcesTest.Ifunc/17
 27: [       OK ] Dihedral/ListedForcesTest.Ifunc/17 (0 ms)
-27: [----------] 18 tests from Dihedral/ListedForcesTest (6 ms total)
+27: [----------] 18 tests from Dihedral/ListedForcesTest (4 ms total)
 27: 
 27: [----------] 12 tests from Polarize/ListedForcesTest
 27: [ RUN      ] Polarize/ListedForcesTest.Ifunc/0
@@ -232866,7 +232776,7 @@
 27: [       OK ] Polarize/ListedForcesTest.Ifunc/10 (0 ms)
 27: [ RUN      ] Polarize/ListedForcesTest.Ifunc/11
 27: [       OK ] Polarize/ListedForcesTest.Ifunc/11 (0 ms)
-27: [----------] 12 tests from Polarize/ListedForcesTest (3 ms total)
+27: [----------] 12 tests from Polarize/ListedForcesTest (2 ms total)
 27: 
 27: [----------] 18 tests from Restraints/ListedForcesTest
 27: [ RUN      ] Restraints/ListedForcesTest.Ifunc/0
@@ -232905,7 +232815,7 @@
 27: [       OK ] Restraints/ListedForcesTest.Ifunc/16 (0 ms)
 27: [ RUN      ] Restraints/ListedForcesTest.Ifunc/17
 27: [       OK ] Restraints/ListedForcesTest.Ifunc/17 (0 ms)
-27: [----------] 18 tests from Restraints/ListedForcesTest (6 ms total)
+27: [----------] 18 tests from Restraints/ListedForcesTest (4 ms total)
 27: 
 27: [----------] 3 tests from BondZeroLength/ListedForcesTest
 27: [ RUN      ] BondZeroLength/ListedForcesTest.Ifunc/0
@@ -232950,7 +232860,7 @@
 27: [       OK ] 14Interaction/ListedForcesPairsTest.Ifunc/10 (0 ms)
 27: [ RUN      ] 14Interaction/ListedForcesPairsTest.Ifunc/11
 27: [       OK ] 14Interaction/ListedForcesPairsTest.Ifunc/11 (0 ms)
-27: [----------] 12 tests from 14Interaction/ListedForcesPairsTest (5 ms total)
+27: [----------] 12 tests from 14Interaction/ListedForcesPairsTest (2 ms total)
 27: 
 27: [----------] 9 tests from PosResBasicTest/PositionRestraintsTest
 27: [ RUN      ] PosResBasicTest/PositionRestraintsTest.BasicPosResNoFreeEnergy/0
@@ -232974,9 +232884,9 @@
 27: [----------] 9 tests from PosResBasicTest/PositionRestraintsTest (2 ms total)
 27: 
 27: [----------] Global test environment tear-down
-27: [==========] 132 tests from 9 test suites ran. (46 ms total)
+27: [==========] 132 tests from 9 test suites ran. (36 ms total)
 27: [  PASSED  ] 132 tests.
-27/96 Test #27: ListedForcesTest .............................   Passed    0.14 sec
+27/96 Test #27: ListedForcesTest .............................   Passed    0.13 sec
 test 28
       Start 28: NbnxmTests
 
@@ -233066,7 +232976,7 @@
 28: There are no combination rule versions of the plain-C kernel
 28: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombLB (0 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwCutCombNone
-28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwCutCombNone (3 ms)
+28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwCutCombNone (4 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwCutCombNone
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwCutCombNone (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombNone
@@ -233078,13 +232988,13 @@
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwForceSwitch
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwForceSwitch (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwPotSwitch
-28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwPotSwitch (3 ms)
+28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwPotSwitch (4 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwPotSwitch
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwPotSwitch (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwPotSwitch
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwPotSwitch (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwEwaldCombGeom
-28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwEwaldCombGeom (4 ms)
+28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwEwaldCombGeom (3 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwEwaldCombGeom
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_Energies_CoulombReactionField_VdwEwaldCombGeom (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwEwaldCombGeom
@@ -233264,19 +233174,19 @@
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwCutCombNone
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwCutCombNone (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwForceSwitch
-28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwForceSwitch (4 ms)
+28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwForceSwitch (3 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwForceSwitch
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwForceSwitch (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwForceSwitch
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwForceSwitch (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwPotSwitch
-28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwPotSwitch (4 ms)
+28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwPotSwitch (3 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwPotSwitch
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwPotSwitch (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwPotSwitch
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwPotSwitch (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwEwaldCombGeom
-28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwEwaldCombGeom (4 ms)
+28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwald_VdwEwaldCombGeom (3 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwEwaldCombGeom
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwald_VdwEwaldCombGeom (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwald_VdwEwaldCombGeom
@@ -233306,7 +233216,7 @@
 28: There are no combination rule versions of the plain-C kernel
 28: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombLB (0 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwCutCombNone
-28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwCutCombNone (4 ms)
+28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwCutCombNone (3 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwCutCombNone
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwCutCombNone (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombNone
@@ -233324,7 +233234,7 @@
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwPotSwitch
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwPotSwitch (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwEwaldCombGeom
-28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwEwaldCombGeom (4 ms)
+28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_NoEnergies_CoulombEwaldTwin_VdwEwaldCombGeom (3 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwEwaldCombGeom
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_Energies_CoulombEwaldTwin_VdwEwaldCombGeom (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom
@@ -233364,13 +233274,13 @@
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_Energies_CoulombReactionField_VdwForceSwitch
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_Energies_CoulombReactionField_VdwForceSwitch (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwForceSwitch
-28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwForceSwitch (1 ms)
+28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwForceSwitch (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_NoEnergies_CoulombReactionField_VdwPotSwitch
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_NoEnergies_CoulombReactionField_VdwPotSwitch (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_Energies_CoulombReactionField_VdwPotSwitch
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_Energies_CoulombReactionField_VdwPotSwitch (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwPotSwitch
-28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwPotSwitch (1 ms)
+28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwPotSwitch (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_NoEnergies_CoulombReactionField_VdwEwaldCombGeom
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_NoEnergies_CoulombReactionField_VdwEwaldCombGeom (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabNo_Energies_CoulombReactionField_VdwEwaldCombGeom
@@ -233618,13 +233528,13 @@
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_4x4_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwCutCombGeom
-28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwCutCombGeom (3 ms)
+28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwCutCombGeom (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombReactionField_VdwCutCombGeom
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombReactionField_VdwCutCombGeom (1 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombGeom
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombGeom (1 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwCutCombLB
-28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwCutCombLB (3 ms)
+28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombReactionField_VdwCutCombLB (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombReactionField_VdwCutCombLB
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombReactionField_VdwCutCombLB (1 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwCutCombLB
@@ -233654,13 +233564,13 @@
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwEwaldCombGeom
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombReactionField_VdwEwaldCombGeom (1 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwCutCombGeom
-28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwCutCombGeom (3 ms)
+28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwCutCombGeom (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwald_VdwCutCombGeom
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwald_VdwCutCombGeom (1 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwald_VdwCutCombGeom
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwald_VdwCutCombGeom (1 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwCutCombLB
-28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwCutCombLB (3 ms)
+28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwald_VdwCutCombLB (1 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwald_VdwCutCombLB
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwald_VdwCutCombLB (1 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwald_VdwCutCombLB
@@ -233690,13 +233600,13 @@
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwald_VdwEwaldCombGeom
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwald_VdwEwaldCombGeom (1 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwCutCombGeom
-28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwCutCombGeom (3 ms)
+28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwCutCombGeom (1 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwaldTwin_VdwCutCombGeom
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwaldTwin_VdwCutCombGeom (1 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombGeom
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombGeom (1 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwCutCombLB
-28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwCutCombLB (3 ms)
+28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_NoEnergies_CoulombEwaldTwin_VdwCutCombLB (2 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwaldTwin_VdwCutCombLB
 28: [       OK ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_Energies_CoulombEwaldTwin_VdwCutCombLB (1 ms)
 28: [ RUN      ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD4xM_TabNo_ThreeEnergyGroups_CoulombEwaldTwin_VdwCutCombLB
@@ -234157,10 +234067,10 @@
 28: ./src/gromacs/nbnxm/tests/kernel_test.cpp:520: Skipped
 28: Cannot test or generate data for 2xNN kernels without suitable SIMD support
 28: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD2xMM_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom (0 ms)
-28: [----------] 360 tests from Combinations/NbnxmKernelTest (365 ms total)
+28: [----------] 360 tests from Combinations/NbnxmKernelTest (363 ms total)
 28: 
 28: [----------] Global test environment tear-down
-28: [==========] 383 tests from 4 test suites ran. (366 ms total)
+28: [==========] 383 tests from 4 test suites ran. (363 ms total)
 28: [  PASSED  ] 185 tests.
 28: [  SKIPPED ] 198 tests, listed below:
 28: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_plain_C_1x1_TabNo_NoEnergies_CoulombReactionField_VdwCutCombGeom
@@ -234361,7 +234271,7 @@
 28: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD2xMM_TabYes_NoEnergies_CoulombEwaldTwin_VdwEwaldCombGeom
 28: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD2xMM_TabYes_Energies_CoulombEwaldTwin_VdwEwaldCombGeom
 28: [  SKIPPED ] Combinations/NbnxmKernelTest.WorksWith/type_SIMD2xMM_TabYes_ThreeEnergyGroups_CoulombEwaldTwin_VdwEwaldCombGeom
-28/96 Test #28: NbnxmTests ...................................   Passed    0.45 sec
+28/96 Test #28: NbnxmTests ...................................   Passed    0.46 sec
 test 29
       Start 29: NbnxmGpuTests
 
@@ -234371,7 +234281,7 @@
 29: [==========] Running 0 tests from 0 test suites.
 29: [==========] 0 tests from 0 test suites ran. (0 ms total)
 29: [  PASSED  ] 0 tests.
-29/96 Test #29: NbnxmGpuTests ................................   Passed    0.07 sec
+29/96 Test #29: NbnxmGpuTests ................................   Passed    0.08 sec
 test 30
       Start 30: CommandLineUnitTests
 
@@ -234404,7 +234314,7 @@
 30: [       OK ] CommandLineHelpWriterTest.HandlesHelpText (0 ms)
 30: [ RUN      ] CommandLineHelpWriterTest.HandlesKnownIssues
 30: [       OK ] CommandLineHelpWriterTest.HandlesKnownIssues (0 ms)
-30: [----------] 7 tests from CommandLineHelpWriterTest (2 ms total)
+30: [----------] 7 tests from CommandLineHelpWriterTest (1 ms total)
 30: 
 30: [----------] 6 tests from CommandLineModuleManagerTest
 30: [ RUN      ] CommandLineModuleManagerTest.RunsModule
@@ -234523,9 +234433,9 @@
 30: [----------] 22 tests from ParseCommonArgsTest (1 ms total)
 30: 
 30: [----------] Global test environment tear-down
-30: [==========] 60 tests from 7 test suites ran. (9 ms total)
+30: [==========] 60 tests from 7 test suites ran. (6 ms total)
 30: [  PASSED  ] 60 tests.
-30/96 Test #30: CommandLineUnitTests .........................   Passed    0.10 sec
+30/96 Test #30: CommandLineUnitTests .........................   Passed    0.09 sec
 test 31
       Start 31: DomDecTests
 
@@ -234561,7 +234471,7 @@
 31: [----------] Global test environment tear-down
 31: [==========] 9 tests from 2 test suites ran. (0 ms total)
 31: [  PASSED  ] 9 tests.
-31/96 Test #31: DomDecTests ..................................   Passed    0.08 sec
+31/96 Test #31: DomDecTests ..................................   Passed    0.09 sec
 test 32
       Start 32: DomDecMpiTests
 
@@ -234584,7 +234494,7 @@
 32: [----------] Global test environment tear-down
 32: [==========] 4 tests from 1 test suite ran. (0 ms total)
 32: [  PASSED  ] 4 tests.
-32/96 Test #32: DomDecMpiTests ...............................   Passed    0.22 sec
+32/96 Test #32: DomDecMpiTests ...............................   Passed    0.19 sec
 test 33
       Start 33: EwaldUnitTests
 
@@ -234610,7 +234520,7 @@
 33: 
 33: [----------] 108 tests from Pme_SplineAndSpreadTest
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_1_atom_spline
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_1_atom_spline (29 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_1_atom_spline (30 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_1_atom_spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_1_atom_spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_1_atom_fused spline and spread
@@ -234622,11 +234532,11 @@
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_2_atoms_fused spline and spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_2_atoms_fused spline and spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_spline
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_spline (2 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_spline (1 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_spread
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_spread (1 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_fused spline and spread
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_fused spline and spread (1 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_system_13_atoms_fused spline and spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_1_atom_spline
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_1_atom_spline (1 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_1_atom_spread
@@ -234642,9 +234552,9 @@
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_13_atoms_spline
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_13_atoms_spline (1 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_13_atoms_spread
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_13_atoms_spread (1 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_13_atoms_spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_13_atoms_fused spline and spread
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_13_atoms_fused spline and spread (1 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_3_grid_19_17_11_system_13_atoms_fused spline and spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_1_atom_spline
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_1_atom_spline (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_1_atom_spread
@@ -234658,7 +234568,7 @@
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_2_atoms_fused spline and spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_2_atoms_fused spline and spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_spline
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_spline (3 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_spline (2 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_spread (1 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_16_12_14_system_13_atoms_fused spline and spread
@@ -234676,11 +234586,11 @@
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_2_atoms_fused spline and spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_2_atoms_fused spline and spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_13_atoms_spline
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_13_atoms_spline (3 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_13_atoms_spline (2 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_13_atoms_spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_13_atoms_spread (1 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_13_atoms_fused spline and spread
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_13_atoms_fused spline and spread (2 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_4_grid_19_17_11_system_13_atoms_fused spline and spread (1 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_1_atom_spline
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_1_atom_spline (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_1_atom_spread
@@ -234688,17 +234598,17 @@
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_1_atom_fused spline and spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_1_atom_fused spline and spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_2_atoms_spline
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_2_atoms_spline (1 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_2_atoms_spline (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_2_atoms_spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_2_atoms_spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_2_atoms_fused spline and spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_2_atoms_fused spline and spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_spline
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_spline (4 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_spline (2 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_spread
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_spread (2 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_spread (1 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_fused spline and spread
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_fused spline and spread (2 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_16_12_14_system_13_atoms_fused spline and spread (1 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_1_atom_spline
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_1_atom_spline (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_1_atom_spread
@@ -234706,17 +234616,17 @@
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_1_atom_fused spline and spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_1_atom_fused spline and spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_2_atoms_spline
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_2_atoms_spline (1 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_2_atoms_spline (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_2_atoms_spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_2_atoms_spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_2_atoms_fused spline and spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_2_atoms_fused spline and spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_spline
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_spline (4 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_spline (2 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_spread (2 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_fused spline and spread
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_fused spline and spread (2 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_rect_order_5_grid_19_17_11_system_13_atoms_fused spline and spread (1 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_16_12_14_system_1_atom_spline
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_16_12_14_system_1_atom_spline (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_16_12_14_system_1_atom_spread
@@ -234730,7 +234640,7 @@
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_16_12_14_system_2_atoms_fused spline and spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_16_12_14_system_2_atoms_fused spline and spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_16_12_14_system_13_atoms_spline
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_16_12_14_system_13_atoms_spline (1 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_16_12_14_system_13_atoms_spline (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_16_12_14_system_13_atoms_spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_16_12_14_system_13_atoms_spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_16_12_14_system_13_atoms_fused spline and spread
@@ -234752,7 +234662,7 @@
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_fused spline and spread
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_fused spline and spread (1 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_3_grid_19_17_11_system_13_atoms_fused spline and spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_1_atom_spline
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_1_atom_spline (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_16_12_14_system_1_atom_spread
@@ -234778,54 +234688,54 @@
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_1_atom_fused spline and spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_1_atom_fused spline and spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_2_atoms_spline
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_2_atoms_spline (1 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_2_atoms_spline (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_2_atoms_spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_2_atoms_spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_2_atoms_fused spline and spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_2_atoms_fused spline and spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_13_atoms_spline
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_13_atoms_spline (3 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_13_atoms_spline (1 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_13_atoms_spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_13_atoms_spread (1 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_13_atoms_fused spline and spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_4_grid_19_17_11_system_13_atoms_fused spline and spread (1 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_1_atom_spline
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_1_atom_spline (1 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_1_atom_spline (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_1_atom_spread
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_1_atom_spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_1_atom_fused spline and spread
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_1_atom_fused spline and spread (1 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_1_atom_fused spline and spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_2_atoms_spline
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_2_atoms_spline (2 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_2_atoms_spline (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_2_atoms_spread
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_2_atoms_spread (1 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_2_atoms_spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_2_atoms_fused spline and spread
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_2_atoms_fused spline and spread (1 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_2_atoms_fused spline and spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_spline
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_spline (6 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_spline (2 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_spread
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_spread (4 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_spread (1 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_fused spline and spread
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_fused spline and spread (4 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_16_12_14_system_13_atoms_fused spline and spread (1 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_1_atom_spline
 33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_1_atom_spline (1 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_1_atom_spread
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_1_atom_spread (1 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_1_atom_spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_1_atom_fused spline and spread
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_1_atom_fused spline and spread (1 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_1_atom_fused spline and spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_2_atoms_spline
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_2_atoms_spline (2 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_2_atoms_spline (1 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_2_atoms_spread
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_2_atoms_spread (1 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_2_atoms_spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_2_atoms_fused spline and spread
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_2_atoms_fused spline and spread (1 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_2_atoms_fused spline and spread (0 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_spline
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_spline (6 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_spline (2 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_spread
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_spread (4 ms)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_spread (1 ms)
 33: [ RUN      ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_fused spline and spread
-33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_fused spline and spread (4 ms)
-33: [----------] 108 tests from Pme_SplineAndSpreadTest (188 ms total)
+33: [       OK ] Pme_SplineAndSpreadTest.WorksOn_CPU_box_tric_order_5_grid_19_17_11_system_13_atoms_fused spline and spread (1 ms)
+33: [----------] 108 tests from Pme_SplineAndSpreadTest (133 ms total)
 33: 
 33: [----------] 64 tests from Pme_SolveTest
 33: [ RUN      ] Pme_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_XYZ_
@@ -234841,7 +234751,7 @@
 33: 
 33: [  SKIPPED ] Pme_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_XYZ_energy (0 ms)
 33: [ RUN      ] Pme_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_YZX_
-33: [       OK ] Pme_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_YZX_ (1 ms)
+33: [       OK ] Pme_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_YZX_ (0 ms)
 33: [ RUN      ] Pme_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_YZX_energy
 33: [       OK ] Pme_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_YZX_energy (0 ms)
 33: [ RUN      ] Pme_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_LJ_order_XYZ_
@@ -234905,7 +234815,7 @@
 33: 
 33: [  SKIPPED ] Pme_SolveTest.WorksOnCPU_box_rect_grid_9_7_23_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_XYZ_energy (0 ms)
 33: [ RUN      ] Pme_SolveTest.WorksOnCPU_box_rect_grid_9_7_23_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_YZX_
-33: [       OK ] Pme_SolveTest.WorksOnCPU_box_rect_grid_9_7_23_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_YZX_ (1 ms)
+33: [       OK ] Pme_SolveTest.WorksOnCPU_box_rect_grid_9_7_23_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_YZX_ (0 ms)
 33: [ RUN      ] Pme_SolveTest.WorksOnCPU_box_rect_grid_9_7_23_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_YZX_energy
 33: [       OK ] Pme_SolveTest.WorksOnCPU_box_rect_grid_9_7_23_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_YZX_energy (0 ms)
 33: [ RUN      ] Pme_SolveTest.WorksOnCPU_box_rect_grid_9_7_23_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_LJ_order_XYZ_
@@ -235215,7 +235125,7 @@
 33: [       OK ] PmeDiffEwaldQ_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_0_4_ewaldlj_0_7_Coulomb_order_YZX_ (0 ms)
 33: [ RUN      ] PmeDiffEwaldQ_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_0_4_ewaldlj_0_7_Coulomb_order_YZX_energy
 33: [       OK ] PmeDiffEwaldQ_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_0_4_ewaldlj_0_7_Coulomb_order_YZX_energy (0 ms)
-33: [----------] 32 tests from PmeDiffEwaldQ_SolveTest (8 ms total)
+33: [----------] 32 tests from PmeDiffEwaldQ_SolveTest (4 ms total)
 33: 
 33: [----------] 32 tests from PmeDiffEwaldLJ_SolveTest
 33: [ RUN      ] PmeDiffEwaldLJ_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_2_35_LJ_order_XYZ_
@@ -235346,7 +235256,7 @@
 33: [       OK ] PmeDiffEwaldLJ_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_2_ewaldlj_2_35_LJ_order_YZX_ (0 ms)
 33: [ RUN      ] PmeDiffEwaldLJ_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_2_ewaldlj_2_35_LJ_order_YZX_energy
 33: [       OK ] PmeDiffEwaldLJ_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_2_ewaldq_2_ewaldlj_2_35_LJ_order_YZX_energy (0 ms)
-33: [----------] 32 tests from PmeDiffEwaldLJ_SolveTest (11 ms total)
+33: [----------] 32 tests from PmeDiffEwaldLJ_SolveTest (5 ms total)
 33: 
 33: [----------] 64 tests from PmeDiffEps_SolveTest
 33: [ RUN      ] PmeDiffEps_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_9_ewaldq_2_ewaldlj_0_7_Coulomb_order_XYZ_
@@ -235605,7 +235515,7 @@
 33: [       OK ] PmeDiffEps_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_YZX_ (0 ms)
 33: [ RUN      ] PmeDiffEps_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_YZX_energy
 33: [       OK ] PmeDiffEps_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_YZX_energy (0 ms)
-33: [----------] 64 tests from PmeDiffEps_SolveTest (17 ms total)
+33: [----------] 64 tests from PmeDiffEps_SolveTest (10 ms total)
 33: 
 33: [----------] 72 tests from Pme_GatherTest
 33: [ RUN      ] Pme_GatherTest.WorksOn_CPU_box_rect_order_3_grid_16_12_14_gridvalues_first_system_1_atom
@@ -235752,7 +235662,7 @@
 33: [       OK ] Pme_GatherTest.WorksOn_CPU_box_tric_order_5_grid_13_15_11_gridvalues_second_system_2_atoms (0 ms)
 33: [ RUN      ] Pme_GatherTest.WorksOn_CPU_box_tric_order_5_grid_13_15_11_gridvalues_second_system_13_atoms
 33: [       OK ] Pme_GatherTest.WorksOn_CPU_box_tric_order_5_grid_13_15_11_gridvalues_second_system_13_atoms (0 ms)
-33: [----------] 72 tests from Pme_GatherTest (34 ms total)
+33: [----------] 72 tests from Pme_GatherTest (16 ms total)
 33: 
 33: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest
 33: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/0
@@ -235769,23 +235679,23 @@
 33: 
 33: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0
-33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0 (2 ms)
+33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0 (1 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1
-33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 (2 ms)
+33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 (1 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2
-33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2 (1 ms)
+33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2 (0 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3
-33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3 (2 ms)
+33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3 (0 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4
-33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4 (2 ms)
+33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4 (1 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5
-33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5 (2 ms)
+33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5 (0 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6
-33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 (2 ms)
+33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 (1 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7
 33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7 (1 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8
-33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 (2 ms)
+33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 (1 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9
 33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9 (1 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10
@@ -235793,15 +235703,15 @@
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11
 33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11 (1 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12
-33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12 (3 ms)
+33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12 (2 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13
-33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13 (1 ms)
+33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13 (0 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14
-33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14 (1 ms)
+33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14 (0 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15
-33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15 (1 ms)
+33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15 (0 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16
-33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16 (1 ms)
+33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16 (0 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17
 33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17 (1 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18
@@ -235809,17 +235719,17 @@
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19
 33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19 (1 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20
-33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20 (2 ms)
+33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20 (1 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21
-33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21 (1 ms)
+33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21 (0 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22
-33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22 (1 ms)
+33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22 (0 ms)
 33: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23
-33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 (1 ms)
-33: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest (46 ms total)
+33: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 (0 ms)
+33: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest (30 ms total)
 33: 
 33: [----------] Global test environment tear-down
-33: [==========] 407 tests from 9 test suites ran. (331 ms total)
+33: [==========] 407 tests from 9 test suites ran. (224 ms total)
 33: [  PASSED  ] 311 tests.
 33: [  SKIPPED ] 96 tests, listed below:
 33: [  SKIPPED ] Pme_SolveTest.WorksOnCPU_box_rect_grid_16_12_28_gridvalues_first_eps_1_2_ewaldq_2_ewaldlj_0_7_Coulomb_order_XYZ_
@@ -235918,7 +235828,7 @@
 33: [  SKIPPED ] PmeDiffEps_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_Coulomb_order_XYZ_energy
 33: [  SKIPPED ] PmeDiffEps_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_XYZ_
 33: [  SKIPPED ] PmeDiffEps_SolveTest.WorksOnCPU_box_tric_grid_9_7_23_gridvalues_second_eps_1_9_ewaldq_2_ewaldlj_0_7_LJ_order_XYZ_energy
-33/96 Test #33: EwaldUnitTests ...............................   Passed    0.44 sec
+33/96 Test #33: EwaldUnitTests ...............................   Passed    0.31 sec
 test 34
       Start 34: FFTUnitTests
 
@@ -235929,19 +235839,19 @@
 34: [----------] Global test environment set-up.
 34: [----------] 2 tests from ManyFFTTest
 34: [ RUN      ] ManyFFTTest.Complex1DLength48Multi5Test
-34: [       OK ] ManyFFTTest.Complex1DLength48Multi5Test (6 ms)
+34: [       OK ] ManyFFTTest.Complex1DLength48Multi5Test (4 ms)
 34: [ RUN      ] ManyFFTTest.Real1DLength48Multi5Test
-34: [       OK ] ManyFFTTest.Real1DLength48Multi5Test (8 ms)
+34: [       OK ] ManyFFTTest.Real1DLength48Multi5Test (11 ms)
 34: [----------] 2 tests from ManyFFTTest (16 ms total)
 34: 
 34: [----------] 1 test from FFTTest
 34: [ RUN      ] FFTTest.Real2DLength18_15Test
-34: [       OK ] FFTTest.Real2DLength18_15Test (3 ms)
-34: [----------] 1 test from FFTTest (3 ms total)
+34: [       OK ] FFTTest.Real2DLength18_15Test (4 ms)
+34: [----------] 1 test from FFTTest (4 ms total)
 34: 
 34: [----------] 10 tests from 7_8_25_36_60/FFTTest1D
 34: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/0
-34: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/0 (0 ms)
+34: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/0 (1 ms)
 34: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/1
 34: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/1 (0 ms)
 34: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/2
@@ -235949,7 +235859,7 @@
 34: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/3
 34: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/3 (2 ms)
 34: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/4
-34: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/4 (1 ms)
+34: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/4 (2 ms)
 34: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/0
 34: [       OK ] 7_8_25_36_60/FFTTest1D.Real/0 (0 ms)
 34: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/1
@@ -235957,10 +235867,10 @@
 34: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/2
 34: [       OK ] 7_8_25_36_60/FFTTest1D.Real/2 (0 ms)
 34: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/3
-34: [       OK ] 7_8_25_36_60/FFTTest1D.Real/3 (4 ms)
+34: [       OK ] 7_8_25_36_60/FFTTest1D.Real/3 (6 ms)
 34: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/4
-34: [       OK ] 7_8_25_36_60/FFTTest1D.Real/4 (6 ms)
-34: [----------] 10 tests from 7_8_25_36_60/FFTTest1D (19 ms total)
+34: [       OK ] 7_8_25_36_60/FFTTest1D.Real/4 (9 ms)
+34: [----------] 10 tests from 7_8_25_36_60/FFTTest1D (25 ms total)
 34: 
 34: [----------] 2 tests from Works/ParameterizedFFTTest3D
 34: [ RUN      ] Works/ParameterizedFFTTest3D.RunsOnHost/5_6_9
@@ -235970,9 +235880,9 @@
 34: [----------] 2 tests from Works/ParameterizedFFTTest3D (3 ms total)
 34: 
 34: [----------] Global test environment tear-down
-34: [==========] 15 tests from 4 test suites ran. (42 ms total)
+34: [==========] 15 tests from 4 test suites ran. (50 ms total)
 34: [  PASSED  ] 15 tests.
-34/96 Test #34: FFTUnitTests .................................   Passed    0.14 sec
+34/96 Test #34: FFTUnitTests .................................   Passed    0.15 sec
 test 35
       Start 35: GpuUtilsUnitTests
 
@@ -236184,7 +236094,7 @@
 35: [----------] Global test environment tear-down
 35: [==========] 67 tests from 22 test suites ran. (0 ms total)
 35: [  PASSED  ] 67 tests.
-35/96 Test #35: GpuUtilsUnitTests ............................   Passed    0.10 sec
+35/96 Test #35: GpuUtilsUnitTests ............................   Passed    0.08 sec
 test 36
       Start 36: HardwareUnitTests
 
@@ -236200,14 +236110,14 @@
 36: 
 36: [----------] 4 tests from HardwareTopologyTest
 36: [ RUN      ] HardwareTopologyTest.Execute
-36: [       OK ] HardwareTopologyTest.Execute (7 ms)
+36: [       OK ] HardwareTopologyTest.Execute (4 ms)
 36: [ RUN      ] HardwareTopologyTest.HwlocExecute
-36: [       OK ] HardwareTopologyTest.HwlocExecute (6 ms)
+36: [       OK ] HardwareTopologyTest.HwlocExecute (4 ms)
 36: [ RUN      ] HardwareTopologyTest.ProcessorSelfconsistency
-36: [       OK ] HardwareTopologyTest.ProcessorSelfconsistency (6 ms)
+36: [       OK ] HardwareTopologyTest.ProcessorSelfconsistency (3 ms)
 36: [ RUN      ] HardwareTopologyTest.NumaCacheSelfconsistency
-36: [       OK ] HardwareTopologyTest.NumaCacheSelfconsistency (6 ms)
-36: [----------] 4 tests from HardwareTopologyTest (26 ms total)
+36: [       OK ] HardwareTopologyTest.NumaCacheSelfconsistency (3 ms)
+36: [----------] 4 tests from HardwareTopologyTest (16 ms total)
 36: 
 36: [----------] 1 test from DevicesManagerTest
 36: [ RUN      ] DevicesManagerTest.Serialization
@@ -236222,7 +236132,7 @@
 36: 
 36: [----------] 5 tests from XeonE52620/MockHardwareTopologyTest
 36: [ RUN      ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/0
-36: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/0 (3 ms)
+36: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/0 (2 ms)
 36: [ RUN      ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/1
 36: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/1 (0 ms)
 36: [ RUN      ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/2
@@ -236231,11 +236141,11 @@
 36: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/3 (0 ms)
 36: [ RUN      ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/4
 36: [       OK ] XeonE52620/MockHardwareTopologyTest.DetectsHardware/4 (0 ms)
-36: [----------] 5 tests from XeonE52620/MockHardwareTopologyTest (7 ms total)
+36: [----------] 5 tests from XeonE52620/MockHardwareTopologyTest (4 ms total)
 36: 
 36: [----------] 5 tests from Xeon4116/MockHardwareTopologyTest
 36: [ RUN      ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/0
-36: [       OK ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/0 (4 ms)
+36: [       OK ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/0 (2 ms)
 36: [ RUN      ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/1
 36: [       OK ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/1 (1 ms)
 36: [ RUN      ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/2
@@ -236244,37 +236154,37 @@
 36: [       OK ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/3 (1 ms)
 36: [ RUN      ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/4
 36: [       OK ] Xeon4116/MockHardwareTopologyTest.DetectsHardware/4 (0 ms)
-36: [----------] 5 tests from Xeon4116/MockHardwareTopologyTest (9 ms total)
+36: [----------] 5 tests from Xeon4116/MockHardwareTopologyTest (8 ms total)
 36: 
 36: [----------] 2 tests from Core12900K/MockHardwareTopologyTest
 36: [ RUN      ] Core12900K/MockHardwareTopologyTest.DetectsHardware/0
 36: [       OK ] Core12900K/MockHardwareTopologyTest.DetectsHardware/0 (2 ms)
 36: [ RUN      ] Core12900K/MockHardwareTopologyTest.DetectsHardware/1
 36: [       OK ] Core12900K/MockHardwareTopologyTest.DetectsHardware/1 (2 ms)
-36: [----------] 2 tests from Core12900K/MockHardwareTopologyTest (5 ms total)
+36: [----------] 2 tests from Core12900K/MockHardwareTopologyTest (4 ms total)
 36: 
 36: [----------] 1 test from Core12900K/MockHardwareTopologySpecialSystemTest
 36: [ RUN      ] Core12900K/MockHardwareTopologySpecialSystemTest.DetectsHardware/0
-36: [       OK ] Core12900K/MockHardwareTopologySpecialSystemTest.DetectsHardware/0 (11 ms)
-36: [----------] 1 test from Core12900K/MockHardwareTopologySpecialSystemTest (11 ms total)
+36: [       OK ] Core12900K/MockHardwareTopologySpecialSystemTest.DetectsHardware/0 (6 ms)
+36: [----------] 1 test from Core12900K/MockHardwareTopologySpecialSystemTest (6 ms total)
 36: 
 36: [----------] 1 test from Power9/MockHardwareTopologySpecialSystemTest
 36: [ RUN      ] Power9/MockHardwareTopologySpecialSystemTest.DetectsHardware/0
-36: [       OK ] Power9/MockHardwareTopologySpecialSystemTest.DetectsHardware/0 (13 ms)
-36: [----------] 1 test from Power9/MockHardwareTopologySpecialSystemTest (14 ms total)
+36: [       OK ] Power9/MockHardwareTopologySpecialSystemTest.DetectsHardware/0 (10 ms)
+36: [----------] 1 test from Power9/MockHardwareTopologySpecialSystemTest (10 ms total)
 36: 
 36: [----------] 1 test from A64fx/MockHardwareTopologySpecialSystemTest
 36: [ RUN      ] A64fx/MockHardwareTopologySpecialSystemTest.DetectsHardware/0
-36: [       OK ] A64fx/MockHardwareTopologySpecialSystemTest.DetectsHardware/0 (18 ms)
-36: [----------] 1 test from A64fx/MockHardwareTopologySpecialSystemTest (18 ms total)
+36: [       OK ] A64fx/MockHardwareTopologySpecialSystemTest.DetectsHardware/0 (10 ms)
+36: [----------] 1 test from A64fx/MockHardwareTopologySpecialSystemTest (10 ms total)
 36: 
 36: [----------] Global test environment tear-down
-36: [==========] 22 tests from 10 test suites ran. (94 ms total)
+36: [==========] 22 tests from 10 test suites ran. (61 ms total)
 36: [  PASSED  ] 22 tests.
 36: 
 36:   YOU HAVE 1 DISABLED TEST
 36: 
-36/96 Test #36: HardwareUnitTests ............................   Passed    0.19 sec
+36/96 Test #36: HardwareUnitTests ............................   Passed    0.13 sec
 test 37
       Start 37: MathUnitTests
 
@@ -236392,18 +236302,18 @@
 37: [ RUN      ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect
 37: [       OK ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect (0 ms)
 37: [ RUN      ] DensitySimilarityTest.CrossCorrelationIsOne
-37: [       OK ] DensitySimilarityTest.CrossCorrelationIsOne (12 ms)
+37: [       OK ] DensitySimilarityTest.CrossCorrelationIsOne (17 ms)
 37: [ RUN      ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated
-37: [       OK ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated (12 ms)
+37: [       OK ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated (17 ms)
 37: [ RUN      ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated
-37: [       OK ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated (0 ms)
+37: [       OK ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated (1 ms)
 37: [ RUN      ] DensitySimilarityTest.CrossCorrelationGradientIsCorrect
 37: [       OK ] DensitySimilarityTest.CrossCorrelationGradientIsCorrect (0 ms)
 37: [ RUN      ] DensitySimilarityTest.NormalizationCorrect
 37: [       OK ] DensitySimilarityTest.NormalizationCorrect (0 ms)
 37: [ RUN      ] DensitySimilarityTest.NormalizationAllNonPositive
 37: [       OK ] DensitySimilarityTest.NormalizationAllNonPositive (0 ms)
-37: [----------] 14 tests from DensitySimilarityTest (27 ms total)
+37: [----------] 14 tests from DensitySimilarityTest (36 ms total)
 37: 
 37: [----------] 6 tests from StructureSimilarityTest
 37: [ RUN      ] StructureSimilarityTest.StructureComparedToSelfHasZeroRMSD
@@ -236482,7 +236392,7 @@
 37: [       OK ] FunctionTest.ErfAndErfInvAreInversesFloat (0 ms)
 37: [ RUN      ] FunctionTest.ErfAndErfInvAreInversesDouble
 37: [       OK ] FunctionTest.ErfAndErfInvAreInversesDouble (0 ms)
-37: [----------] 21 tests from FunctionTest (3 ms total)
+37: [----------] 21 tests from FunctionTest (1 ms total)
 37: 
 37: [----------] 2 tests from FunctionTestIntegerTypes/0, where TypeParam = signed char
 37: [ RUN      ] FunctionTestIntegerTypes/0.IsPowerOfTwo
@@ -236722,10 +236632,10 @@
 37: 
 37: [----------] 2 tests from NelderMead
 37: [ RUN      ] NelderMead.Optimizes2DFunctionCorrectly
-37: [       OK ] NelderMead.Optimizes2DFunctionCorrectly (10 ms)
+37: [       OK ] NelderMead.Optimizes2DFunctionCorrectly (13 ms)
 37: [ RUN      ] NelderMead.Optimizes3DFunctorCorrectly
 37: [       OK ] NelderMead.Optimizes3DFunctorCorrectly (0 ms)
-37: [----------] 2 tests from NelderMead (10 ms total)
+37: [----------] 2 tests from NelderMead (13 ms total)
 37: 
 37: [----------] 11 tests from PaddedVectorTest/0, where TypeParam = std::allocator<int>
 37: [ RUN      ] PaddedVectorTest/0.DefaultConstructorWorks
@@ -237063,9 +236973,9 @@
 37: [----------] 41 tests from RVecTest (0 ms total)
 37: 
 37: [----------] Global test environment tear-down
-37: [==========] 328 tests from 41 test suites ran. (45 ms total)
+37: [==========] 328 tests from 41 test suites ran. (55 ms total)
 37: [  PASSED  ] 328 tests.
-37/96 Test #37: MathUnitTests ................................   Passed    0.12 sec
+37/96 Test #37: MathUnitTests ................................   Passed    0.15 sec
 test 38
       Start 38: MdrunUtilityUnitTests
 
@@ -237122,12 +237032,12 @@
 38: [ RUN      ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing
 38: NOTE: Affinity setting for 1/2 threads failed.
 38: [       OK ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing (0 ms)
-38: [----------] 17 tests from ThreadAffinityTest (2 ms total)
+38: [----------] 17 tests from ThreadAffinityTest (1 ms total)
 38: 
 38: [----------] Global test environment tear-down
-38: [==========] 21 tests from 2 test suites ran. (2 ms total)
+38: [==========] 21 tests from 2 test suites ran. (1 ms total)
 38: [  PASSED  ] 21 tests.
-38/96 Test #38: MdrunUtilityUnitTests ........................   Passed    0.08 sec
+38/96 Test #38: MdrunUtilityUnitTests ........................   Passed    0.07 sec
 test 39
       Start 39: MdrunUtilityMpiUnitTests
 
@@ -237138,7 +237048,7 @@
 39: [----------] Global test environment set-up.
 39: [----------] 6 tests from ThreadAffinityMultiRankTest
 39: [ RUN      ] ThreadAffinityMultiRankTest.PinsWholeNode
-39: [       OK ] ThreadAffinityMultiRankTest.PinsWholeNode (0 ms)
+39: [       OK ] ThreadAffinityMultiRankTest.PinsWholeNode (10 ms)
 39: [ RUN      ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride
 39: [       OK ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride (0 ms)
 39: [ RUN      ] ThreadAffinityMultiRankTest.PinsTwoNodes
@@ -237149,7 +237059,7 @@
 39: [       OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto (0 ms)
 39: [ RUN      ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce
 39: [       OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce (0 ms)
-39: [----------] 6 tests from ThreadAffinityMultiRankTest (2 ms total)
+39: [----------] 6 tests from ThreadAffinityMultiRankTest (12 ms total)
 39: 
 39: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest
 39: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsOnMainOnly
@@ -237169,9 +237079,9 @@
 39: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest (3 ms total)
 39: 
 39: [----------] Global test environment tear-down
-39: [==========] 13 tests from 2 test suites ran. (6 ms total)
+39: [==========] 13 tests from 2 test suites ran. (15 ms total)
 39: [  PASSED  ] 13 tests.
-39/96 Test #39: MdrunUtilityMpiUnitTests .....................   Passed    0.20 sec
+39/96 Test #39: MdrunUtilityMpiUnitTests .....................   Passed    0.18 sec
 test 40
       Start 40: MDSpanTests
 
@@ -237268,7 +237178,7 @@
 40: [----------] Global test environment tear-down
 40: [==========] 32 tests from 7 test suites ran. (0 ms total)
 40: [  PASSED  ] 32 tests.
-40/96 Test #40: MDSpanTests ..................................   Passed    0.09 sec
+40/96 Test #40: MDSpanTests ..................................   Passed    0.08 sec
 test 41
       Start 41: MdtypesUnitTest
 
@@ -237303,8 +237213,8 @@
 41: [ RUN      ] CheckpointDataTest.SingleDataTest
 41: [       OK ] CheckpointDataTest.SingleDataTest (0 ms)
 41: [ RUN      ] CheckpointDataTest.MultiDataTest
-41: [       OK ] CheckpointDataTest.MultiDataTest (4 ms)
-41: [----------] 2 tests from CheckpointDataTest (5 ms total)
+41: [       OK ] CheckpointDataTest.MultiDataTest (3 ms)
+41: [----------] 2 tests from CheckpointDataTest (4 ms total)
 41: 
 41: [----------] 7 tests from ForceBuffers
 41: [ RUN      ] ForceBuffers.ConstructsUnpinned
@@ -237493,9 +237403,9 @@
 41: [----------] 15 tests from ChecksStepInterval/MtsIntervalTest (0 ms total)
 41: 
 41: [----------] Global test environment tear-down
-41: [==========] 97 tests from 7 test suites ran. (6 ms total)
+41: [==========] 97 tests from 7 test suites ran. (5 ms total)
 41: [  PASSED  ] 97 tests.
-41/96 Test #41: MdtypesUnitTest ..............................   Passed    0.10 sec
+41/96 Test #41: MdtypesUnitTest ..............................   Passed    0.09 sec
 test 42
       Start 42: OnlineHelpUnitTests
 
@@ -237558,10 +237468,10 @@
 42: [       OK ] HelpWriterContextTest.FormatsGridTable (0 ms)
 42: [ RUN      ] HelpWriterContextTest.FormatsTitles
 42: [       OK ] HelpWriterContextTest.FormatsTitles (0 ms)
-42: [----------] 11 tests from HelpWriterContextTest (5 ms total)
+42: [----------] 11 tests from HelpWriterContextTest (1 ms total)
 42: 
 42: [----------] Global test environment tear-down
-42: [==========] 22 tests from 4 test suites ran. (9 ms total)
+42: [==========] 22 tests from 4 test suites ran. (5 ms total)
 42: [  PASSED  ] 22 tests.
 42/96 Test #42: OnlineHelpUnitTests ..........................   Passed    0.10 sec
 test 43
@@ -237831,7 +237741,7 @@
 43: [       OK ] TreeValueSupportAdjustTest.MergesDefaultValues (0 ms)
 43: [ RUN      ] TreeValueSupportAdjustTest.OrdersValues
 43: [       OK ] TreeValueSupportAdjustTest.OrdersValues (0 ms)
-43: [----------] 6 tests from TreeValueSupportAdjustTest (2 ms total)
+43: [----------] 6 tests from TreeValueSupportAdjustTest (1 ms total)
 43: 
 43: [----------] 7 tests from TreeValueSupportTest
 43: [ RUN      ] TreeValueSupportTest.SupportsBooleanOption
@@ -237848,12 +237758,12 @@
 43: [       OK ] TreeValueSupportTest.SupportsDoubleOption (0 ms)
 43: [ RUN      ] TreeValueSupportTest.SupportsEnumOption
 43: [       OK ] TreeValueSupportTest.SupportsEnumOption (0 ms)
-43: [----------] 7 tests from TreeValueSupportTest (2 ms total)
+43: [----------] 7 tests from TreeValueSupportTest (0 ms total)
 43: 
 43: [----------] Global test environment tear-down
-43: [==========] 112 tests from 18 test suites ran. (7 ms total)
+43: [==========] 112 tests from 18 test suites ran. (5 ms total)
 43: [  PASSED  ] 112 tests.
-43/96 Test #43: OptionsUnitTests .............................   Passed    0.10 sec
+43/96 Test #43: OptionsUnitTests .............................   Passed    0.09 sec
 test 44
       Start 44: PbcutilUnitTest
 
@@ -237876,7 +237786,7 @@
 44: 
 44: [----------] 5 tests from PbcTest
 44: [ RUN      ] PbcTest.CalcShiftsWorks
-44: [       OK ] PbcTest.CalcShiftsWorks (0 ms)
+44: [       OK ] PbcTest.CalcShiftsWorks (1 ms)
 44: [ RUN      ] PbcTest.PutAtomsInCubicBoxAlreadyInBox
 44: [       OK ] PbcTest.PutAtomsInCubicBoxAlreadyInBox (0 ms)
 44: [ RUN      ] PbcTest.PutAtomsInCubicBoxFromOutsideBox
@@ -237885,7 +237795,7 @@
 44: [       OK ] PbcTest.PutAtomsInTriclinicBoxFromOutsideBox (0 ms)
 44: [ RUN      ] PbcTest.PutAtomsInBoxHandlesInf
 44: [       OK ] PbcTest.PutAtomsInBoxHandlesInf (0 ms)
-44: [----------] 5 tests from PbcTest (0 ms total)
+44: [----------] 5 tests from PbcTest (1 ms total)
 44: 
 44: [----------] 2 tests from PbcEnumsTest
 44: [ RUN      ] PbcEnumsTest.CenteringTypeNamesAreCorrect
@@ -237949,10 +237859,10 @@
 44: [       OK ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/25 (0 ms)
 44: [ RUN      ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/26
 44: [       OK ] CorrectCoordinates/COMInPlaceTest.MatrixDefault/26 (0 ms)
-44: [----------] 27 tests from CorrectCoordinates/COMInPlaceTest (10 ms total)
+44: [----------] 27 tests from CorrectCoordinates/COMInPlaceTest (9 ms total)
 44: 
 44: [----------] Global test environment tear-down
-44: [==========] 37 tests from 5 test suites ran. (11 ms total)
+44: [==========] 37 tests from 5 test suites ran. (10 ms total)
 44: [  PASSED  ] 37 tests.
 44/96 Test #44: PbcutilUnitTest ..............................   Passed    0.10 sec
 test 45
@@ -238014,12 +237924,12 @@
 45: [       OK ] TabulatedNormalDistributionTest.Reset (0 ms)
 45: [ RUN      ] TabulatedNormalDistributionTest.AltParam
 45: [       OK ] TabulatedNormalDistributionTest.AltParam (0 ms)
-45: [----------] 6 tests from TabulatedNormalDistributionTest (0 ms total)
+45: [----------] 6 tests from TabulatedNormalDistributionTest (1 ms total)
 45: 
 45: [----------] 1 test from TabulatedNormalDistributionTableTest
 45: [ RUN      ] TabulatedNormalDistributionTableTest.HasValidProperties
-45: [       OK ] TabulatedNormalDistributionTableTest.HasValidProperties (0 ms)
-45: [----------] 1 test from TabulatedNormalDistributionTableTest (0 ms total)
+45: [       OK ] TabulatedNormalDistributionTableTest.HasValidProperties (14 ms)
+45: [----------] 1 test from TabulatedNormalDistributionTableTest (14 ms total)
 45: 
 45: [----------] 6 tests from ThreeFry2x64Test
 45: [ RUN      ] ThreeFry2x64Test.Logical
@@ -238038,14 +237948,14 @@
 45: 
 45: [----------] 4 tests from UniformIntDistributionTest
 45: [ RUN      ] UniformIntDistributionTest.Output
-45: [       OK ] UniformIntDistributionTest.Output (0 ms)
+45: [       OK ] UniformIntDistributionTest.Output (11 ms)
 45: [ RUN      ] UniformIntDistributionTest.Logical
 45: [       OK ] UniformIntDistributionTest.Logical (0 ms)
 45: [ RUN      ] UniformIntDistributionTest.Reset
 45: [       OK ] UniformIntDistributionTest.Reset (0 ms)
 45: [ RUN      ] UniformIntDistributionTest.AltParam
 45: [       OK ] UniformIntDistributionTest.AltParam (0 ms)
-45: [----------] 4 tests from UniformIntDistributionTest (0 ms total)
+45: [----------] 4 tests from UniformIntDistributionTest (11 ms total)
 45: 
 45: [----------] 5 tests from UniformRealDistributionTest
 45: [ RUN      ] UniformRealDistributionTest.GenerateCanonical
@@ -238079,12 +237989,12 @@
 45: [       OK ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/1 (0 ms)
 45: [ RUN      ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/2
 45: [       OK ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/2 (0 ms)
-45: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test (2 ms total)
+45: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test (1 ms total)
 45: 
 45: [----------] Global test environment tear-down
-45: [==========] 44 tests from 10 test suites ran. (6 ms total)
+45: [==========] 44 tests from 10 test suites ran. (31 ms total)
 45: [  PASSED  ] 44 tests.
-45/96 Test #45: RandomUnitTests ..............................   Passed    0.10 sec
+45/96 Test #45: RandomUnitTests ..............................   Passed    0.15 sec
 test 46
       Start 46: RestraintTests
 
@@ -238112,26 +238022,26 @@
 47: [----------] Global test environment set-up.
 47: [----------] 10 tests from SplineTableTest/0, where TypeParam = gmx::QuadraticSplineTable
 47: [ RUN      ] SplineTableTest/0.HandlesIncorrectInput
-47: [       OK ] SplineTableTest/0.HandlesIncorrectInput (1 ms)
+47: [       OK ] SplineTableTest/0.HandlesIncorrectInput (0 ms)
 47: [ RUN      ] SplineTableTest/0.Sinc
 47: [       OK ] SplineTableTest/0.Sinc (0 ms)
 47: [ RUN      ] SplineTableTest/0.LJ12
-47: [       OK ] SplineTableTest/0.LJ12 (13 ms)
+47: [       OK ] SplineTableTest/0.LJ12 (7 ms)
 47: [ RUN      ] SplineTableTest/0.PmeCorrection
-47: [       OK ] SplineTableTest/0.PmeCorrection (1 ms)
+47: [       OK ] SplineTableTest/0.PmeCorrection (0 ms)
 47: [ RUN      ] SplineTableTest/0.HandlesIncorrectNumericalInput
 47: [       OK ] SplineTableTest/0.HandlesIncorrectNumericalInput (0 ms)
 47: [ RUN      ] SplineTableTest/0.NumericalInputPmeCorr
 47: [       OK ] SplineTableTest/0.NumericalInputPmeCorr (0 ms)
 47: [ RUN      ] SplineTableTest/0.TwoFunctions
-47: [       OK ] SplineTableTest/0.TwoFunctions (24 ms)
+47: [       OK ] SplineTableTest/0.TwoFunctions (13 ms)
 47: [ RUN      ] SplineTableTest/0.ThreeFunctions
-47: [       OK ] SplineTableTest/0.ThreeFunctions (21 ms)
+47: [       OK ] SplineTableTest/0.ThreeFunctions (14 ms)
 47: [ RUN      ] SplineTableTest/0.Simd
-47: [       OK ] SplineTableTest/0.Simd (3 ms)
+47: [       OK ] SplineTableTest/0.Simd (2 ms)
 47: [ RUN      ] SplineTableTest/0.SimdTwoFunctions
-47: [       OK ] SplineTableTest/0.SimdTwoFunctions (14 ms)
-47: [----------] 10 tests from SplineTableTest/0 (82 ms total)
+47: [       OK ] SplineTableTest/0.SimdTwoFunctions (11 ms)
+47: [----------] 10 tests from SplineTableTest/0 (52 ms total)
 47: 
 47: [----------] 10 tests from SplineTableTest/1, where TypeParam = gmx::CubicSplineTable
 47: [ RUN      ] SplineTableTest/1.HandlesIncorrectInput
@@ -238139,7 +238049,7 @@
 47: [ RUN      ] SplineTableTest/1.Sinc
 47: [       OK ] SplineTableTest/1.Sinc (0 ms)
 47: [ RUN      ] SplineTableTest/1.LJ12
-47: [       OK ] SplineTableTest/1.LJ12 (1 ms)
+47: [       OK ] SplineTableTest/1.LJ12 (0 ms)
 47: [ RUN      ] SplineTableTest/1.PmeCorrection
 47: [       OK ] SplineTableTest/1.PmeCorrection (0 ms)
 47: [ RUN      ] SplineTableTest/1.HandlesIncorrectNumericalInput
@@ -238154,12 +238064,12 @@
 47: [       OK ] SplineTableTest/1.Simd (0 ms)
 47: [ RUN      ] SplineTableTest/1.SimdTwoFunctions
 47: [       OK ] SplineTableTest/1.SimdTwoFunctions (1 ms)
-47: [----------] 10 tests from SplineTableTest/1 (9 ms total)
+47: [----------] 10 tests from SplineTableTest/1 (8 ms total)
 47: 
 47: [----------] Global test environment tear-down
-47: [==========] 20 tests from 2 test suites ran. (92 ms total)
+47: [==========] 20 tests from 2 test suites ran. (60 ms total)
 47: [  PASSED  ] 20 tests.
-47/96 Test #47: TableUnitTests ...............................   Passed    0.18 sec
+47/96 Test #47: TableUnitTests ...............................   Passed    0.15 sec
 test 48
       Start 48: TaskAssignmentUnitTests
 
@@ -238183,7 +238093,7 @@
 48: [----------] Global test environment tear-down
 48: [==========] 3 tests from 2 test suites ran. (0 ms total)
 48: [  PASSED  ] 3 tests.
-48/96 Test #48: TaskAssignmentUnitTests ......................   Passed    0.07 sec
+48/96 Test #48: TaskAssignmentUnitTests ......................   Passed    0.09 sec
 test 49
       Start 49: GmxTimingTests
 
@@ -238210,7 +238120,7 @@
 49: [----------] Global test environment tear-down
 49: [==========] 6 tests from 1 test suite ran. (1 ms total)
 49: [  PASSED  ] 6 tests.
-49/96 Test #49: GmxTimingTests ...............................   Passed    0.09 sec
+49/96 Test #49: GmxTimingTests ...............................   Passed    0.08 sec
 test 50
       Start 50: TopologyTest
 
@@ -238264,7 +238174,7 @@
 50:          be removed in a future GROMACS version. Please, consider
 50:          using another file format for your input.
 50: 
-50: [       OK ] IndexTest.AnalyseWorksDefaultGroups (4 ms)
+50: [       OK ] IndexTest.AnalyseWorksDefaultGroups (5 ms)
 50: [ RUN      ] IndexTest.WriteIndexWorks
 50: 
 50: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -238289,7 +238199,7 @@
 50:          using another file format for your input.
 50: 
 50: [       OK ] IndexTest.WriteAndReadIndexWorks (2 ms)
-50: [----------] 3 tests from IndexTest (10 ms total)
+50: [----------] 3 tests from IndexTest (11 ms total)
 50: 
 50: [----------] 4 tests from MtopTest
 50: [ RUN      ] MtopTest.RangeBasedLoop
@@ -238583,10 +238493,10 @@
 50: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/52 (0 ms)
 50: [ RUN      ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/53
 50: [       OK ] BuildsValidDataStructure/SimulationParticleTest.CanSerialize/53 (0 ms)
-50: [----------] 108 tests from BuildsValidDataStructure/SimulationParticleTest (30 ms total)
+50: [----------] 108 tests from BuildsValidDataStructure/SimulationParticleTest (25 ms total)
 50: 
 50: [----------] Global test environment tear-down
-50: [==========] 153 tests from 10 test suites ran. (45 ms total)
+50: [==========] 153 tests from 10 test suites ran. (42 ms total)
 50: [  PASSED  ] 153 tests.
 50: 
 50:   YOU HAVE 1 DISABLED TEST
@@ -238612,21 +238522,21 @@
 51: [ RUN      ] PullTest.MaxPullDistanceXySkewedBox
 51: [       OK ] PullTest.MaxPullDistanceXySkewedBox (0 ms)
 51: [ RUN      ] PullTest.TransformationCoordSimple
-51: [       OK ] PullTest.TransformationCoordSimple (0 ms)
+51: [       OK ] PullTest.TransformationCoordSimple (4 ms)
 51: [ RUN      ] PullTest.TransformationCoordAdvanced
 51: [       OK ] PullTest.TransformationCoordAdvanced (0 ms)
 51: [ RUN      ] PullTest.TransformationCoordTime
 51: [       OK ] PullTest.TransformationCoordTime (0 ms)
 51: [ RUN      ] PullTest.TransformationCoordTimeNotAllowed
-51: [       OK ] PullTest.TransformationCoordTimeNotAllowed (0 ms)
+51: [       OK ] PullTest.TransformationCoordTimeNotAllowed (1 ms)
 51: [ RUN      ] PullTest.TransformationCoordDummyExpression
 51: [       OK ] PullTest.TransformationCoordDummyExpression (0 ms)
-51: [----------] 10 tests from PullTest (1 ms total)
+51: [----------] 10 tests from PullTest (6 ms total)
 51: 
 51: [----------] Global test environment tear-down
-51: [==========] 10 tests from 1 test suite ran. (1 ms total)
+51: [==========] 10 tests from 1 test suite ran. (6 ms total)
 51: [  PASSED  ] 10 tests.
-51/96 Test #51: PullTest .....................................   Passed    0.08 sec
+51/96 Test #51: PullTest .....................................   Passed    0.10 sec
 test 52
       Start 52: SimdUnitTests
 
@@ -239029,13 +238939,13 @@
 52: [ RUN      ] SimdMathTest.sqrtUnsafe
 52: [       OK ] SimdMathTest.sqrtUnsafe (0 ms)
 52: [ RUN      ] SimdMathTest.inv
-52: [       OK ] SimdMathTest.inv (0 ms)
+52: [       OK ] SimdMathTest.inv (1 ms)
 52: [ RUN      ] SimdMathTest.maskzInv
 52: [       OK ] SimdMathTest.maskzInv (0 ms)
 52: [ RUN      ] SimdMathTest.cbrt
 52: [       OK ] SimdMathTest.cbrt (0 ms)
 52: [ RUN      ] SimdMathTest.invcbrt
-52: [       OK ] SimdMathTest.invcbrt (0 ms)
+52: [       OK ] SimdMathTest.invcbrt (1 ms)
 52: [ RUN      ] SimdMathTest.log2
 52: [       OK ] SimdMathTest.log2 (0 ms)
 52: [ RUN      ] SimdMathTest.log
@@ -239045,7 +238955,7 @@
 52: [ RUN      ] SimdMathTest.exp2Unsafe
 52: [       OK ] SimdMathTest.exp2Unsafe (0 ms)
 52: [ RUN      ] SimdMathTest.exp
-52: [       OK ] SimdMathTest.exp (0 ms)
+52: [       OK ] SimdMathTest.exp (1 ms)
 52: [ RUN      ] SimdMathTest.expUnsafe
 52: [       OK ] SimdMathTest.expUnsafe (0 ms)
 52: [ RUN      ] SimdMathTest.pow
@@ -239061,7 +238971,7 @@
 52: [ RUN      ] SimdMathTest.cos
 52: [       OK ] SimdMathTest.cos (0 ms)
 52: [ RUN      ] SimdMathTest.tan
-52: [       OK ] SimdMathTest.tan (0 ms)
+52: [       OK ] SimdMathTest.tan (1 ms)
 52: [ RUN      ] SimdMathTest.asin
 52: [       OK ] SimdMathTest.asin (0 ms)
 52: [ RUN      ] SimdMathTest.acos
@@ -239083,21 +238993,21 @@
 52: [ RUN      ] SimdMathTest.sqrtSingleAccuracyUnsafe
 52: [       OK ] SimdMathTest.sqrtSingleAccuracyUnsafe (0 ms)
 52: [ RUN      ] SimdMathTest.invSingleAccuracy
-52: [       OK ] SimdMathTest.invSingleAccuracy (0 ms)
+52: [       OK ] SimdMathTest.invSingleAccuracy (1 ms)
 52: [ RUN      ] SimdMathTest.cbrtSingleAccuracy
 52: [       OK ] SimdMathTest.cbrtSingleAccuracy (0 ms)
 52: [ RUN      ] SimdMathTest.invcbrtSingleAccuracy
-52: [       OK ] SimdMathTest.invcbrtSingleAccuracy (0 ms)
+52: [       OK ] SimdMathTest.invcbrtSingleAccuracy (1 ms)
 52: [ RUN      ] SimdMathTest.log2SingleAccuracy
 52: [       OK ] SimdMathTest.log2SingleAccuracy (0 ms)
 52: [ RUN      ] SimdMathTest.logSingleAccuracy
 52: [       OK ] SimdMathTest.logSingleAccuracy (0 ms)
 52: [ RUN      ] SimdMathTest.exp2SingleAccuracy
-52: [       OK ] SimdMathTest.exp2SingleAccuracy (0 ms)
+52: [       OK ] SimdMathTest.exp2SingleAccuracy (1 ms)
 52: [ RUN      ] SimdMathTest.exp2SingleAccuracyUnsafe
 52: [       OK ] SimdMathTest.exp2SingleAccuracyUnsafe (0 ms)
 52: [ RUN      ] SimdMathTest.expSingleAccuracy
-52: [       OK ] SimdMathTest.expSingleAccuracy (0 ms)
+52: [       OK ] SimdMathTest.expSingleAccuracy (1 ms)
 52: [ RUN      ] SimdMathTest.expSingleAccuracyUnsafe
 52: [       OK ] SimdMathTest.expSingleAccuracyUnsafe (0 ms)
 52: [ RUN      ] SimdMathTest.powSingleAccuracy
@@ -239126,7 +239036,7 @@
 52: [       OK ] SimdMathTest.pmeForceCorrectionSingleAccuracy (0 ms)
 52: [ RUN      ] SimdMathTest.pmePotentialCorrectionSingleAccuracy
 52: [       OK ] SimdMathTest.pmePotentialCorrectionSingleAccuracy (0 ms)
-52: [----------] 56 tests from SimdMathTest (23 ms total)
+52: [----------] 56 tests from SimdMathTest (31 ms total)
 52: 
 52: [----------] 1 test from EmptyArrayRefTest
 52: [ RUN      ] EmptyArrayRefTest.IsEmpty
@@ -239278,9 +239188,9 @@
 52: [----------] 1 test from Simd4VectorOperationsTest (0 ms total)
 52: 
 52: [----------] Global test environment tear-down
-52: [==========] 288 tests from 22 test suites ran. (24 ms total)
+52: [==========] 288 tests from 22 test suites ran. (34 ms total)
 52: [  PASSED  ] 288 tests.
-52/96 Test #52: SimdUnitTests ................................   Passed    0.12 sec
+52/96 Test #52: SimdUnitTests ................................   Passed    0.13 sec
 test 53
       Start 53: CompatibilityHelpersTests
 
@@ -239352,7 +239262,7 @@
 54: [       OK ] Entropy.EntropyCompare_200_Linear (0 ms)
 54: [ RUN      ] Entropy.EntropyCompare_300_Linear
 54: [       OK ] Entropy.EntropyCompare_300_Linear (0 ms)
-54: [----------] 7 tests from Entropy (1 ms total)
+54: [----------] 7 tests from Entropy (2 ms total)
 54: 
 54: [----------] 2 tests from GmxChiTest
 54: [ RUN      ] GmxChiTest.gmxchiWorksWithAll
@@ -239369,7 +239279,7 @@
 54: Now printing out rotamer occupancies...
 54: Now calculating Chi product trajectories...
 54: 
Printing chiproductLYS1.xvg    and histo-chiprodLYS1.xvg  
Printing chiproductVAL2.xvg    and histo-chiprodVAL2.xvg  
Printing chiproductPHE3.xvg    and histo-chiprodPHE3.xvg  
Printing chiproductARG5.xvg    and histo-chiprodARG5.xvg  
Printing chiproductCYS6.xvg    and histo-chiprodCYS6.xvg  
Printing chiproductGLU7.xvg    and histo-chiprodGLU7.xvg  
Printing chiproductLEU8.xvg    and histo-chiprodLEU8.xvg  
-54: [       OK ] GmxChiTest.gmxchiWorksWithAll (760 ms)
+54: [       OK ] GmxChiTest.gmxchiWorksWithAll (500 ms)
 54: [ RUN      ] GmxChiTest.gmxchiWorksWithr0AndrN
 54: Analyzing from residue 2 to residue 6
 54: 5 residues with dihedrals found
@@ -239384,8 +239294,8 @@
 54: Now printing out rotamer occupancies...
 54: Now calculating Chi product trajectories...
 54: 
Printing chiproductVAL2.xvg    and histo-chiprodVAL2.xvg  
Printing chiproductPHE3.xvg    and histo-chiprodPHE3.xvg  
Printing chiproductARG5.xvg    and histo-chiprodARG5.xvg  
Printing chiproductCYS6.xvg    and histo-chiprodCYS6.xvg  
-54: [       OK ] GmxChiTest.gmxchiWorksWithr0AndrN (397 ms)
-54: [----------] 2 tests from GmxChiTest (1227 ms total)
+54: [       OK ] GmxChiTest.gmxchiWorksWithr0AndrN (223 ms)
+54: [----------] 2 tests from GmxChiTest (793 ms total)
 54: 
 54: [----------] 10 tests from MindistTest
 54: [ RUN      ] MindistTest.mindistWorksWithSingleAtoms
@@ -239399,7 +239309,7 @@
 54: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 54: Selected 0: 'atom1'
 54: Selected 1: 'atom2'
-54: [       OK ] MindistTest.mindistWorksWithSingleAtoms (5 ms)
+54: [       OK ] MindistTest.mindistWorksWithSingleAtoms (6 ms)
 54: [ RUN      ] MindistTest.mindistWorksWithMultipleAtoms
 54: Group     0 (          atom1) has     1 elements
 54: Group     1 (          atom2) has     1 elements
@@ -239519,7 +239429,7 @@
 54: Select a group: trr version: GMX_trn_file (single precision)
 54: 
Reading frame       0 time    0.000   
Reading frame       1 time    1.000   
Last frame          1 time    1.000   
 54: Selected 0: 'System'
-54: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/0 (1 ms)
+54: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/0 (0 ms)
 54: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/1
 54: Group     0 (         System) has     6 elements
 54: Group     1 (          Water) has     6 elements
@@ -239534,7 +239444,7 @@
 54: Select a group: Reading frames from gro file 'Generated by trjconv t=   0.00000 step= 0', 6 atoms.
 54: 
Reading frame       0 time    0.000   
Reading frame       1 time    1.000   
Last frame          1 time    1.000   
 54: Selected 0: 'System'
-54: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/2 (0 ms)
+54: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/2 (1 ms)
 54: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/3
 54: Group     0 (         System) has     6 elements
 54: Group     1 (          Water) has     6 elements
@@ -239626,7 +239536,7 @@
 54:          using another file format for your input.
 54: 
 54: Selected 0: 'System'
-54: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/2 (1 ms)
+54: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/2 (0 ms)
 54: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/3
 54: Group     0 (         System) has     6 elements
 54: Group     1 (          Water) has     6 elements
@@ -239697,12 +239607,12 @@
 54: 
 54: Selected 0: 'System'
 54: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.RotationalKineticEnergy/5 (1 ms)
-54: [----------] 12 tests from NoFatalErrorWhenWritingFrom/GmxTraj (13 ms total)
+54: [----------] 12 tests from NoFatalErrorWhenWritingFrom/GmxTraj (12 ms total)
 54: 
 54: [----------] Global test environment tear-down
-54: [==========] 31 tests from 4 test suites ran. (1254 ms total)
+54: [==========] 31 tests from 4 test suites ran. (820 ms total)
 54: [  PASSED  ] 31 tests.
-54/96 Test #54: GmxAnaTest ...................................   Passed    1.35 sec
+54/96 Test #54: GmxAnaTest ...................................   Passed    0.92 sec
 test 55
       Start 55: GmxPreprocessTests
 
@@ -239722,7 +239632,7 @@
 55: [ RUN      ] GenconfTest.nbox_norenumber_Works
 55: [       OK ] GenconfTest.nbox_norenumber_Works (0 ms)
 55: [ RUN      ] GenconfTest.nbox_dist_Works
-55: [       OK ] GenconfTest.nbox_dist_Works (1 ms)
+55: [       OK ] GenconfTest.nbox_dist_Works (0 ms)
 55: [ RUN      ] GenconfTest.nbox_rot_Works
 55: center of geometry: 1.733667, 1.477000, 0.905167
 55: center of geometry: 1.733667, 1.477000, 0.905167
@@ -239736,8 +239646,8 @@
 55: center of geometry: 1.733667, 1.477000, 0.905167
 55: center of geometry: 1.733667, 1.477000, 0.905167
 55: center of geometry: 1.733667, 1.477000, 0.905167
-55: [       OK ] GenconfTest.nbox_rot_Works (1 ms)
-55: [----------] 4 tests from GenconfTest (5 ms total)
+55: [       OK ] GenconfTest.nbox_rot_Works (0 ms)
+55: [----------] 4 tests from GenconfTest (3 ms total)
 55: 
 55: [----------] 2 tests from GenionTest
 55: [ RUN      ] GenionTest.HighConcentrationIonPlacement
@@ -239787,7 +239697,7 @@
 55: Replacing solvent molecule 155 (atom 465) with CL
 55: Replacing solvent molecule 99 (atom 297) with CL
 55: 
-55: Setting the LD random seed to 1608970038
+55: Setting the LD random seed to 2000614655
 55: 
 55: Generated 331705 of the 331705 non-bonded parameter combinations
 55: 
@@ -239807,7 +239717,7 @@
 55: Will try to add 4 NA ions and 4 CL ions.
 55: Select a continuous group of solvent molecules
 55: Selected 1: 'Water'
-55: [       OK ] GenionTest.HighConcentrationIonPlacement (186 ms)
+55: [       OK ] GenionTest.HighConcentrationIonPlacement (150 ms)
 55: [ RUN      ] GenionTest.NoIonPlacement
 55: 
 55: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_input.mdp]:
@@ -239839,7 +239749,7 @@
 55: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_spc216_with_methane.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 55: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_spc216_with_methane.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 55: No ions to add, will just copy input configuration.
-55: Setting the LD random seed to -553911095
+55: Setting the LD random seed to -306358279
 55: 
 55: Generated 331705 of the 331705 non-bonded parameter combinations
 55: 
@@ -239856,8 +239766,8 @@
 55: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 55: 
 55: This run will generate roughly 0 Mb of data
-55: [       OK ] GenionTest.NoIonPlacement (141 ms)
-55: [----------] 2 tests from GenionTest (327 ms total)
+55: [       OK ] GenionTest.NoIonPlacement (140 ms)
+55: [----------] 2 tests from GenionTest (291 ms total)
 55: 
 55: [----------] 1 test from GenRestrTest
 55: [ RUN      ] GenRestrTest.SimpleRestraintsGenerated
@@ -239945,7 +239855,7 @@
 55: 
 55: There were 2 NOTEs
 55: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GromppDirectiveTest_edgeCaseAtomTypeNames_directives.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-55: Setting the LD random seed to -123732993
+55: Setting the LD random seed to -67240002
 55: 
 55: Generated 10 of the 10 non-bonded parameter combinations
 55: 
@@ -239953,7 +239863,7 @@
 55: 
 55: Excluding 0 bonded neighbours molecule type 'A'
 55: 
-55: Setting gen_seed to -608185985
+55: Setting gen_seed to -1343300001
 55: 
 55: Velocities were taken from a Maxwell distribution at 300 K
 55: Analysing residue names:
@@ -239999,7 +239909,7 @@
 55: 
 55: 
 55: There were 3 NOTEs
-55: Setting the LD random seed to -1633517589
+55: Setting the LD random seed to -1620052225
 55: 
 55: Generated 10 of the 10 non-bonded parameter combinations
 55: 
@@ -240007,7 +239917,7 @@
 55: 
 55: Excluding 0 bonded neighbours molecule type 'A'
 55: 
-55: Setting gen_seed to -806420494
+55: Setting gen_seed to -403179970
 55: 
 55: Velocities were taken from a Maxwell distribution at 300 K
 55: Analysing residue names:
@@ -240026,7 +239936,7 @@
 55: [       OK ] GromppDirectiveTest.NoteOnDihedralNotSumToZero (2 ms)
 55: [ RUN      ] GromppDirectiveTest.WarnOnDihedralSumDifferentForFreeEnergy
 55: [       OK ] GromppDirectiveTest.WarnOnDihedralSumDifferentForFreeEnergy (0 ms)
-55: [----------] 3 tests from GromppDirectiveTest (6 ms total)
+55: [----------] 3 tests from GromppDirectiveTest (5 ms total)
 55: 
 55: [----------] 6 tests from InsertMoleculesTest
 55: [ RUN      ] InsertMoleculesTest.InsertsMoleculesIntoExistingConfiguration
@@ -240163,7 +240073,7 @@
 55: Writing generated configuration to /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoEnlargedBox_out.gro
 55: 
 55: Output configuration contains 10 atoms in 4 residues
-55: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoEnlargedBox (1 ms)
+55: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoEnlargedBox (0 ms)
 55: [ RUN      ] InsertMoleculesTest.InsertsMoleculesWithReplacement
 55: Reading solute configuration
 55: Initialising inter-atomic distances...
@@ -240199,7 +240109,7 @@
 55: Writing generated configuration to /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesWithReplacement_out.gro
 55: 
 55: Output configuration contains 632 atoms in 212 residues
-55: [       OK ] InsertMoleculesTest.InsertsMoleculesWithReplacement (5 ms)
+55: [       OK ] InsertMoleculesTest.InsertsMoleculesWithReplacement (3 ms)
 55: [ RUN      ] InsertMoleculesTest.InsertsMoleculesIntoFixedPositions
 55: Initialising inter-atomic distances...
 55: 
@@ -240236,7 +240146,7 @@
 55: 
 55: Output configuration contains 6 atoms in 3 residues
 55: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoFixedPositions (1 ms)
-55: [----------] 6 tests from InsertMoleculesTest (11 ms total)
+55: [----------] 6 tests from InsertMoleculesTest (9 ms total)
 55: 
 55: [----------] 3 tests from MassRepartitioning
 55: [ RUN      ] MassRepartitioning.ValidCaseWorks
@@ -240543,7 +240453,7 @@
 55: [       OK ] GetIrTest.lambdaOverOneCheck_LambdaVector_And_ExactlyAsManyStep (1 ms)
 55: [ RUN      ] GetIrTest.lambdaOverOneCheck_LambdaVector_And_ExactlyAsManyStep_negativeDelta
 55: [       OK ] GetIrTest.lambdaOverOneCheck_LambdaVector_And_ExactlyAsManyStep_negativeDelta (1 ms)
-55: [----------] 35 tests from GetIrTest (51 ms total)
+55: [----------] 35 tests from GetIrTest (50 ms total)
 55: 
 55: [----------] 6 tests from SolvateTest
 55: [ RUN      ] SolvateTest.cs_box_Works
@@ -240629,7 +240539,7 @@
 55: Density                :     974.777 (g/l)
 55: Number of solvent molecules:    886   
 55: 
-55: [       OK ] SolvateTest.cs_cp_Works (10 ms)
+55: [       OK ] SolvateTest.cs_cp_Works (11 ms)
 55: [ RUN      ] SolvateTest.cs_cp_p_Works
 55: Reading solute configuration
 55: Reading solvent configuration
@@ -240674,7 +240584,7 @@
 55: 
 55: Processing topology
 55: Adding line for 886 solvent molecules with resname (SOL) to topology file (/build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_cs_cp_p_Works_spc-and-methanol.top)
-55: [       OK ] SolvateTest.cs_cp_p_Works (11 ms)
+55: [       OK ] SolvateTest.cs_cp_p_Works (10 ms)
 55: [ RUN      ] SolvateTest.shell_Works
 55: Reading solute configuration
 55: Reading solvent configuration
@@ -240806,8 +240716,8 @@
 55: Density                :     826.409 (g/l)
 55: Number of solvent molecules:    221   
 55: 
-55: [       OK ] SolvateTest.cs_pdb_big_box_Works (6 ms)
-55: [----------] 6 tests from SolvateTest (84 ms total)
+55: [       OK ] SolvateTest.cs_pdb_big_box_Works (5 ms)
+55: [----------] 6 tests from SolvateTest (82 ms total)
 55: 
 55: [----------] 1 test from TopDirTests
 55: [ RUN      ] TopDirTests.NamesArrayHasCorrectSize
@@ -241093,7 +241003,7 @@
 55: Read 252 atoms
 55: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 55: No velocities found
-55: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/0 (4 ms)
+55: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/0 (3 ms)
 55: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/1
 55: Note that major changes are planned in future for editconf, to improve usability and utility.
 55: Read 252 atoms
@@ -241105,7 +241015,7 @@
 55: Read 252 atoms
 55: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 55: No velocities found
-55: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/2 (3 ms)
+55: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/2 (2 ms)
 55: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/3
 55: Note that major changes are planned in future for editconf, to improve usability and utility.
 55: Read 252 atoms
@@ -241129,7 +241039,7 @@
 55: Read 252 atoms
 55: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 55: No velocities found
-55: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/6 (3 ms)
+55: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/6 (2 ms)
 55: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/7
 55: Note that major changes are planned in future for editconf, to improve usability and utility.
 55: Read 252 atoms
@@ -241151,7 +241061,7 @@
 55: Read 252 atoms
 55: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 55: No velocities found
-55: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/0 (1 ms)
+55: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/0 (2 ms)
 55: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/1
 55: 
 55: Select a group for output:
@@ -241221,7 +241131,7 @@
 55: Read 252 atoms
 55: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 55: No velocities found
-55: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/7 (1 ms)
+55: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/7 (0 ms)
 55: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/8
 55: 
 55: Select a group for output:
@@ -241283,7 +241193,7 @@
 55:     box volume  : 338.10               (nm^3)
 55:     shift       :  0.212  1.187  3.527 (nm)
 55: new center      :  4.028  2.819  3.723 (nm)
-55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenter/3 (2 ms)
+55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenter/3 (1 ms)
 55: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesCenter/4
 55: Note that major changes are planned in future for editconf, to improve usability and utility.
 55: Read 252 atoms
@@ -241322,7 +241232,7 @@
 55:     box volume  : 338.10               (nm^3)
 55:     shift       :  0.212  1.187  3.527 (nm)
 55: new center      :  4.028  2.819  3.723 (nm)
-55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenter/6 (2 ms)
+55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenter/6 (1 ms)
 55: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesCenter/7
 55: Note that major changes are planned in future for editconf, to improve usability and utility.
 55: Read 252 atoms
@@ -241348,7 +241258,7 @@
 55:     box volume  : 338.10               (nm^3)
 55:     shift       :  0.212  1.187  3.527 (nm)
 55: new center      :  4.028  2.819  3.723 (nm)
-55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenter/8 (2 ms)
+55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenter/8 (1 ms)
 55: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/0
 55: Note that major changes are planned in future for editconf, to improve usability and utility.
 55: Read 252 atoms
@@ -241368,7 +241278,7 @@
 55: WARNING: No boxtype specified - distance condition applied in each dimension.
 55: If the molecule rotates the actual distance will be smaller. You might want
 55: to use a cubic box instead, or why not try a dodecahedron today?
-55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/0 (3 ms)
+55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/0 (2 ms)
 55: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/1
 55: Note that major changes are planned in future for editconf, to improve usability and utility.
 55: Read 252 atoms
@@ -241428,7 +241338,7 @@
 55: WARNING: No boxtype specified - distance condition applied in each dimension.
 55: If the molecule rotates the actual distance will be smaller. You might want
 55: to use a cubic box instead, or why not try a dodecahedron today?
-55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/3 (2 ms)
+55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/3 (1 ms)
 55: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/4
 55: Note that major changes are planned in future for editconf, to improve usability and utility.
 55: Read 252 atoms
@@ -241468,7 +241378,7 @@
 55: WARNING: No boxtype specified - distance condition applied in each dimension.
 55: If the molecule rotates the actual distance will be smaller. You might want
 55: to use a cubic box instead, or why not try a dodecahedron today?
-55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/5 (4 ms)
+55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/5 (1 ms)
 55: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/6
 55: Note that major changes are planned in future for editconf, to improve usability and utility.
 55: Read 252 atoms
@@ -241488,7 +241398,7 @@
 55: WARNING: No boxtype specified - distance condition applied in each dimension.
 55: If the molecule rotates the actual distance will be smaller. You might want
 55: to use a cubic box instead, or why not try a dodecahedron today?
-55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/6 (4 ms)
+55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/6 (2 ms)
 55: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/7
 55: Note that major changes are planned in future for editconf, to improve usability and utility.
 55: Read 252 atoms
@@ -241508,7 +241418,7 @@
 55: WARNING: No boxtype specified - distance condition applied in each dimension.
 55: If the molecule rotates the actual distance will be smaller. You might want
 55: to use a cubic box instead, or why not try a dodecahedron today?
-55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/7 (3 ms)
+55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/7 (1 ms)
 55: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/8
 55: Note that major changes are planned in future for editconf, to improve usability and utility.
 55: Read 252 atoms
@@ -241528,7 +241438,7 @@
 55: WARNING: No boxtype specified - distance condition applied in each dimension.
 55: If the molecule rotates the actual distance will be smaller. You might want
 55: to use a cubic box instead, or why not try a dodecahedron today?
-55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/8 (3 ms)
+55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesCenterAndDiameter/8 (1 ms)
 55: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/0
 55: Note that major changes are planned in future for editconf, to improve usability and utility.
 55: Read 252 atoms
@@ -241547,7 +241457,7 @@
 55: WARNING: No boxtype specified - distance condition applied in each dimension.
 55: If the molecule rotates the actual distance will be smaller. You might want
 55: to use a cubic box instead, or why not try a dodecahedron today?
-55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/0 (5 ms)
+55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/0 (2 ms)
 55: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/1
 55: Note that major changes are planned in future for editconf, to improve usability and utility.
 55: Read 252 atoms
@@ -241585,7 +241495,7 @@
 55: WARNING: No boxtype specified - distance condition applied in each dimension.
 55: If the molecule rotates the actual distance will be smaller. You might want
 55: to use a cubic box instead, or why not try a dodecahedron today?
-55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/2 (3 ms)
+55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/2 (2 ms)
 55: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/3
 55: Note that major changes are planned in future for editconf, to improve usability and utility.
 55: Read 252 atoms
@@ -241642,7 +241552,7 @@
 55: WARNING: No boxtype specified - distance condition applied in each dimension.
 55: If the molecule rotates the actual distance will be smaller. You might want
 55: to use a cubic box instead, or why not try a dodecahedron today?
-55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/5 (2 ms)
+55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/5 (1 ms)
 55: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/6
 55: Note that major changes are planned in future for editconf, to improve usability and utility.
 55: Read 252 atoms
@@ -241661,7 +241571,7 @@
 55: WARNING: No boxtype specified - distance condition applied in each dimension.
 55: If the molecule rotates the actual distance will be smaller. You might want
 55: to use a cubic box instead, or why not try a dodecahedron today?
-55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/6 (2 ms)
+55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/6 (1 ms)
 55: [ RUN      ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/7
 55: Note that major changes are planned in future for editconf, to improve usability and utility.
 55: Read 252 atoms
@@ -241699,28 +241609,28 @@
 55: WARNING: No boxtype specified - distance condition applied in each dimension.
 55: If the molecule rotates the actual distance will be smaller. You might want
 55: to use a cubic box instead, or why not try a dodecahedron today?
-55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/8 (2 ms)
-55: [----------] 45 tests from SinglePeptideFragments/EditconfTest (109 ms total)
+55: [       OK ] SinglePeptideFragments/EditconfTest.HandlesBothNoCenterAndDiameter/8 (1 ms)
+55: [----------] 45 tests from SinglePeptideFragments/EditconfTest (83 ms total)
 55: 
 55: [----------] 16 tests from CorrectVelocity/MaxwellTest
 55: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/0
-55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/0 (1 ms)
+55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/0 (0 ms)
 55: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/1
 55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/1 (1 ms)
 55: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/2
-55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/2 (1 ms)
+55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/2 (0 ms)
 55: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/3
 55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/3 (1 ms)
 55: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/4
 55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/4 (1 ms)
 55: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/5
-55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/5 (1 ms)
+55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/5 (0 ms)
 55: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/6
 55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/6 (0 ms)
 55: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/7
 55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/7 (1 ms)
 55: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/8
-55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/8 (1 ms)
+55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/8 (0 ms)
 55: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/9
 55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/9 (1 ms)
 55: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/10
@@ -241728,14 +241638,14 @@
 55: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/11
 55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/11 (1 ms)
 55: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/12
-55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/12 (1 ms)
+55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/12 (0 ms)
 55: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/13
 55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/13 (1 ms)
 55: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/14
-55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/14 (1 ms)
+55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/14 (0 ms)
 55: [ RUN      ] CorrectVelocity/MaxwellTest.CreationWorks/15
 55: [       OK ] CorrectVelocity/MaxwellTest.CreationWorks/15 (1 ms)
-55: [----------] 16 tests from CorrectVelocity/MaxwellTest (22 ms total)
+55: [----------] 16 tests from CorrectVelocity/MaxwellTest (17 ms total)
 55: 
 55: [----------] 23 tests from CMAPDefinesAndErrors/GromppDirectiveTest
 55: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/0
@@ -241763,7 +241673,7 @@
 55: 
 55: 
 55: There were 2 NOTEs
-55: Setting the LD random seed to -18974525
+55: Setting the LD random seed to -305790977
 55: 
 55: Generated 3 of the 3 non-bonded parameter combinations
 55: 
@@ -241771,7 +241681,7 @@
 55: 
 55: Excluding 0 bonded neighbours molecule type 'A'
 55: 
-55: Setting gen_seed to -293609603
+55: Setting gen_seed to -1208582417
 55: 
 55: Velocities were taken from a Maxwell distribution at 300 K
 55: Analysing residue names:
@@ -241809,7 +241719,7 @@
 55: 
 55: 
 55: There were 2 NOTEs
-55: Setting the LD random seed to -537135220
+55: Setting the LD random seed to -7753217
 55: 
 55: Generated 3 of the 3 non-bonded parameter combinations
 55: 
@@ -241817,7 +241727,7 @@
 55: 
 55: Excluding 0 bonded neighbours molecule type 'A'
 55: 
-55: Setting gen_seed to 1469232475
+55: Setting gen_seed to -1088565321
 55: 
 55: Velocities were taken from a Maxwell distribution at 300 K
 55: Analysing residue names:
@@ -241855,7 +241765,7 @@
 55: 
 55: 
 55: There were 2 NOTEs
-55: Setting the LD random seed to -1091899441
+55: Setting the LD random seed to -1359565825
 55: 
 55: Generated 3 of the 3 non-bonded parameter combinations
 55: 
@@ -241863,7 +241773,7 @@
 55: 
 55: Excluding 0 bonded neighbours molecule type 'A'
 55: 
-55: Setting gen_seed to 1199487847
+55: Setting gen_seed to 1857028077
 55: 
 55: Velocities were taken from a Maxwell distribution at 300 K
 55: Analysing residue names:
@@ -241901,7 +241811,7 @@
 55: 
 55: 
 55: There were 2 NOTEs
-55: Setting the LD random seed to -138412817
+55: Setting the LD random seed to -67122194
 55: 
 55: Generated 3 of the 3 non-bonded parameter combinations
 55: 
@@ -241909,7 +241819,7 @@
 55: 
 55: Excluding 0 bonded neighbours molecule type 'A'
 55: 
-55: Setting gen_seed to -285479729
+55: Setting gen_seed to -271352963
 55: 
 55: Velocities were taken from a Maxwell distribution at 300 K
 55: Analysing residue names:
@@ -241967,7 +241877,7 @@
 55: 
 55: 
 55: There were 2 NOTEs
-55: Setting the LD random seed to -541071422
+55: Setting the LD random seed to -276858437
 55: 
 55: Generated 3 of the 3 non-bonded parameter combinations
 55: 
@@ -241975,7 +241885,7 @@
 55: 
 55: Excluding 0 bonded neighbours molecule type 'A'
 55: 
-55: Setting gen_seed to -77269060
+55: Setting gen_seed to -76844553
 55: 
 55: Velocities were taken from a Maxwell distribution at 300 K
 55: Analysing residue names:
@@ -242013,7 +241923,7 @@
 55: 
 55: 
 55: There were 2 NOTEs
-55: Setting the LD random seed to -19136566
+55: Setting the LD random seed to -21049475
 55: 
 55: Generated 3 of the 3 non-bonded parameter combinations
 55: 
@@ -242021,7 +241931,7 @@
 55: 
 55: Excluding 0 bonded neighbours molecule type 'A'
 55: 
-55: Setting gen_seed to -86057041
+55: Setting gen_seed to -543212041
 55: 
 55: Velocities were taken from a Maxwell distribution at 300 K
 55: Analysing residue names:
@@ -242065,7 +241975,7 @@
 55: 
 55: 
 55: There were 2 NOTEs
-55: Setting the LD random seed to 2147417499
+55: Setting the LD random seed to 2111831934
 55: 
 55: Generated 3 of the 3 non-bonded parameter combinations
 55: 
@@ -242073,7 +241983,7 @@
 55: 
 55: Excluding 0 bonded neighbours molecule type 'A'
 55: 
-55: Setting gen_seed to 1878710910
+55: Setting gen_seed to -1610899713
 55: 
 55: Velocities were taken from a Maxwell distribution at 300 K
 55: Analysing residue names:
@@ -242092,10 +242002,10 @@
 55: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/21 (2 ms)
 55: [ RUN      ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/22
 55: [       OK ] CMAPDefinesAndErrors/GromppDirectiveTest.AcceptValidAndErrorOnInvalidCMAP/22 (0 ms)
-55: [----------] 23 tests from CMAPDefinesAndErrors/GromppDirectiveTest (18 ms total)
+55: [----------] 23 tests from CMAPDefinesAndErrors/GromppDirectiveTest (19 ms total)
 55: 
 55: [----------] Global test environment tear-down
-55: [==========] 260 tests from 16 test suites ran. (639 ms total)
+55: [==========] 260 tests from 16 test suites ran. (566 ms total)
 55: [  PASSED  ] 220 tests.
 55: [  SKIPPED ] 40 tests, listed below:
 55: [  SKIPPED ] InteractionFunctionKind/ConvertInteractionsTest.Works/GB_1_2_Pol_
@@ -242138,7 +242048,7 @@
 55: [  SKIPPED ] InteractionFunctionKind/ConvertInteractionsTest.Works/dVbonded_dl
 55: [  SKIPPED ] InteractionFunctionKind/ConvertInteractionsTest.Works/dVrestraint_dl
 55: [  SKIPPED ] InteractionFunctionKind/ConvertInteractionsTest.Works/dVtemp_dl
-55/96 Test #55: GmxPreprocessTests ...........................   Passed    0.74 sec
+55/96 Test #55: GmxPreprocessTests ...........................   Passed    0.64 sec
 test 56
       Start 56: Pdb2gmx1Test
 
@@ -242227,7 +242137,7 @@
 56: The Oplsaa force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (32 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (19 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -242310,7 +242220,7 @@
 56: The Oplsaa force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (28 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (19 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -242389,7 +242299,7 @@
 56: The Oplsaa force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (22 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (17 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -242470,7 +242380,7 @@
 56: The Oplsaa force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (20 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (17 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -242553,7 +242463,7 @@
 56: The Oplsaa force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (63 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (106 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -242636,7 +242546,7 @@
 56: The Oplsaa force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (22 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (23 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -242722,7 +242632,7 @@
 56: The Oplsaa force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (23 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (24 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -242804,7 +242714,7 @@
 56: The Oplsaa force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (21 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (22 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -242974,7 +242884,7 @@
 56: The Oplsaa force field and the tip3p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (62 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (55 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -243054,7 +242964,7 @@
 56: The Oplsaa force field and the tip4p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (19 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (16 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -243137,7 +243047,7 @@
 56: The Oplsaa force field and the tip4p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (21 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (17 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -243216,7 +243126,7 @@
 56: The Oplsaa force field and the tip4p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (19 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (17 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -243297,7 +243207,7 @@
 56: The Oplsaa force field and the tip4p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (18 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (16 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -243380,7 +243290,7 @@
 56: The Oplsaa force field and the tip4p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (59 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (50 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -243463,7 +243373,7 @@
 56: The Oplsaa force field and the tip4p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (21 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (18 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -243549,7 +243459,7 @@
 56: The Oplsaa force field and the tip4p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (23 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (20 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -243631,7 +243541,7 @@
 56: The Oplsaa force field and the tip4p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (21 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (18 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -243715,7 +243625,7 @@
 56: The Oplsaa force field and the tip4p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (19 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (17 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -243801,7 +243711,7 @@
 56: The Oplsaa force field and the tip4p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (63 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip4p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (53 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -243881,7 +243791,7 @@
 56: The Oplsaa force field and the tip5p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (18 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (17 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -243964,7 +243874,7 @@
 56: The Oplsaa force field and the tip5p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (21 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (18 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -244043,7 +243953,7 @@
 56: The Oplsaa force field and the tip5p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (19 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (17 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -244124,7 +244034,7 @@
 56: The Oplsaa force field and the tip5p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (18 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (17 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -244207,7 +244117,7 @@
 56: The Oplsaa force field and the tip5p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (55 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (49 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -244290,7 +244200,7 @@
 56: The Oplsaa force field and the tip5p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (19 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (18 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -244376,7 +244286,7 @@
 56: The Oplsaa force field and the tip5p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (21 ms)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (19 ms)
 56: [ RUN      ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 56: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/oplsaa.ff/aminoacids.r2b
 56: All occupancies are one
@@ -244628,13 +244538,13 @@
 56: The Oplsaa force field and the tip5p water model are used.
 56: 
 56: 		--------- ETON ESAELP ------------
-56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (63 ms)
-56: [----------] 30 tests from Oplsaa/Pdb2gmxTest (881 ms total)
+56: [       OK ] Oplsaa/Pdb2gmxTest.Runs/ff_oplsaa_tip5p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (54 ms)
+56: [----------] 30 tests from Oplsaa/Pdb2gmxTest (824 ms total)
 56: 
 56: [----------] Global test environment tear-down
-56: [==========] 30 tests from 1 test suite ran. (881 ms total)
+56: [==========] 30 tests from 1 test suite ran. (824 ms total)
 56: [  PASSED  ] 30 tests.
-56/96 Test #56: Pdb2gmx1Test .................................   Passed    0.97 sec
+56/96 Test #56: Pdb2gmx1Test .................................   Passed    0.90 sec
 test 57
       Start 57: Pdb2gmx2Test
 
@@ -244859,7 +244769,7 @@
 57: The Gromos43a1 force field and the spc water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (34 ms)
+57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (23 ms)
 57: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 57: All occupancies are one
@@ -245078,7 +244988,7 @@
 57: The Gromos43a1 force field and the spc water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (22 ms)
+57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (20 ms)
 57: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 57: All occupancies are one
@@ -245293,7 +245203,7 @@
 57: The Gromos43a1 force field and the spc water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (20 ms)
+57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (18 ms)
 57: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 57: All occupancies are one
@@ -245729,7 +245639,7 @@
 57: The Gromos43a1 force field and the spc water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (36 ms)
+57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (38 ms)
 57: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 57: All occupancies are one
@@ -245948,7 +245858,7 @@
 57: The Gromos43a1 force field and the spc water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (20 ms)
+57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (19 ms)
 57: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 57: All occupancies are one
@@ -246170,7 +246080,7 @@
 57: The Gromos43a1 force field and the spc water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (22 ms)
+57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (21 ms)
 57: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 57: All occupancies are one
@@ -246388,7 +246298,7 @@
 57: The Gromos43a1 force field and the spc water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (20 ms)
+57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (19 ms)
 57: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 57: All occupancies are one
@@ -246608,7 +246518,7 @@
 57: The Gromos43a1 force field and the spc water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (20 ms)
+57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (19 ms)
 57: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 57: All occupancies are one
@@ -246830,7 +246740,7 @@
 57: The Gromos43a1 force field and the spc water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (41 ms)
+57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spc_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (38 ms)
 57: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 57: All occupancies are one
@@ -247046,7 +246956,7 @@
 57: The Gromos43a1 force field and the spce water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (19 ms)
+57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (18 ms)
 57: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 57: All occupancies are one
@@ -247265,7 +247175,7 @@
 57: The Gromos43a1 force field and the spce water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (22 ms)
+57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (19 ms)
 57: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 57: All occupancies are one
@@ -247480,7 +247390,7 @@
 57: The Gromos43a1 force field and the spce water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (19 ms)
+57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (18 ms)
 57: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 57: All occupancies are one
@@ -247697,7 +247607,7 @@
 57: The Gromos43a1 force field and the spce water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (19 ms)
+57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (17 ms)
 57: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 57: All occupancies are one
@@ -247916,7 +247826,7 @@
 57: The Gromos43a1 force field and the spce water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (40 ms)
+57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (38 ms)
 57: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 57: All occupancies are one
@@ -248135,7 +248045,7 @@
 57: The Gromos43a1 force field and the spce water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (51 ms)
+57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (19 ms)
 57: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 57: All occupancies are one
@@ -248357,7 +248267,7 @@
 57: The Gromos43a1 force field and the spce water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (41 ms)
+57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (20 ms)
 57: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 57: All occupancies are one
@@ -248575,7 +248485,7 @@
 57: The Gromos43a1 force field and the spce water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (33 ms)
+57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (19 ms)
 57: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 57: All occupancies are one
@@ -248795,7 +248705,7 @@
 57: The Gromos43a1 force field and the spce water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (27 ms)
+57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (19 ms)
 57: [ RUN      ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos43a1.ff/aminoacids.r2b
 57: All occupancies are one
@@ -249017,8 +248927,8 @@
 57: The Gromos43a1 force field and the spce water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (44 ms)
-57: [----------] 20 tests from G43a1/Pdb2gmxTest (577 ms total)
+57: [       OK ] G43a1/Pdb2gmxTest.Runs/ff_gromos43a1_spce_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (39 ms)
+57: [----------] 20 tests from G43a1/Pdb2gmxTest (473 ms total)
 57: 
 57: [----------] 20 tests from G53a6/Pdb2gmxTest
 57: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file
@@ -249246,7 +249156,7 @@
 57: The Gromos53a6 force field and the spc water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (34 ms)
+57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (24 ms)
 57: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 57: All occupancies are one
@@ -249475,7 +249385,7 @@
 57: The Gromos53a6 force field and the spc water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (23 ms)
+57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (22 ms)
 57: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 57: All occupancies are one
@@ -249927,7 +249837,7 @@
 57: The Gromos53a6 force field and the spc water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (21 ms)
+57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (20 ms)
 57: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 57: All occupancies are one
@@ -250156,7 +250066,7 @@
 57: The Gromos53a6 force field and the spc water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (41 ms)
+57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (39 ms)
 57: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 57: All occupancies are one
@@ -250385,7 +250295,7 @@
 57: The Gromos53a6 force field and the spc water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (22 ms)
+57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (21 ms)
 57: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 57: All occupancies are one
@@ -251307,7 +251217,7 @@
 57: The Gromos53a6 force field and the spc water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (44 ms)
+57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spc_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (41 ms)
 57: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 57: All occupancies are one
@@ -251533,7 +251443,7 @@
 57: The Gromos53a6 force field and the spce water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (52 ms)
+57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (21 ms)
 57: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 57: All occupancies are one
@@ -251762,7 +251672,7 @@
 57: The Gromos53a6 force field and the spce water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (40 ms)
+57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (22 ms)
 57: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 57: All occupancies are one
@@ -251987,7 +251897,7 @@
 57: The Gromos53a6 force field and the spce water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (33 ms)
+57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (21 ms)
 57: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 57: All occupancies are one
@@ -252214,7 +252124,7 @@
 57: The Gromos53a6 force field and the spce water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (26 ms)
+57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (20 ms)
 57: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 57: All occupancies are one
@@ -252443,7 +252353,7 @@
 57: The Gromos53a6 force field and the spce water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (48 ms)
+57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (40 ms)
 57: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 57: All occupancies are one
@@ -252904,7 +252814,7 @@
 57: The Gromos53a6 force field and the spce water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (24 ms)
+57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (23 ms)
 57: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 57: All occupancies are one
@@ -253362,7 +253272,7 @@
 57: The Gromos53a6 force field and the spce water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (22 ms)
+57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (20 ms)
 57: [ RUN      ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 57: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/gromos53a6.ff/aminoacids.r2b
 57: All occupancies are one
@@ -253594,13 +253504,13 @@
 57: The Gromos53a6 force field and the spce water model are used.
 57: 
 57: 		--------- ETON ESAELP ------------
-57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (89 ms)
-57: [----------] 20 tests from G53a6/Pdb2gmxTest (657 ms total)
+57: [       OK ] G53a6/Pdb2gmxTest.Runs/ff_gromos53a6_spce_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (42 ms)
+57: [----------] 20 tests from G53a6/Pdb2gmxTest (514 ms total)
 57: 
 57: [----------] Global test environment tear-down
-57: [==========] 40 tests from 2 test suites ran. (1235 ms total)
+57: [==========] 40 tests from 2 test suites ran. (987 ms total)
 57: [  PASSED  ] 40 tests.
-57/96 Test #57: Pdb2gmx2Test .................................   Passed    1.32 sec
+57/96 Test #57: Pdb2gmx2Test .................................   Passed    1.06 sec
 test 58
       Start 58: Pdb2gmx3Test
 
@@ -253700,7 +253610,7 @@
 58: The Amber99sb-ildn force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (47 ms)
+58: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (28 ms)
 58: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -253794,7 +253704,7 @@
 58: The Amber99sb-ildn force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (37 ms)
+58: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (25 ms)
 58: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -253884,7 +253794,7 @@
 58: The Amber99sb-ildn force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (29 ms)
+58: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (24 ms)
 58: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -253976,7 +253886,7 @@
 58: The Amber99sb-ildn force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (26 ms)
+58: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (22 ms)
 58: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -254070,7 +253980,7 @@
 58: The Amber99sb-ildn force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (129 ms)
+58: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (61 ms)
 58: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -254164,7 +254074,7 @@
 58: The Amber99sb-ildn force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (30 ms)
+58: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (25 ms)
 58: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -254261,7 +254171,7 @@
 58: The Amber99sb-ildn force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (31 ms)
+58: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (27 ms)
 58: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -254354,7 +254264,7 @@
 58: The Amber99sb-ildn force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (28 ms)
+58: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (25 ms)
 58: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -254449,7 +254359,7 @@
 58: The Amber99sb-ildn force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (25 ms)
+58: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (62 ms)
 58: [ RUN      ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/amber99sb-ildn.ff/dna.r2b
@@ -254546,8 +254456,8 @@
 58: The Amber99sb-ildn force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (73 ms)
-58: [----------] 10 tests from Amber/Pdb2gmxTest (460 ms total)
+58: [       OK ] Amber/Pdb2gmxTest.Runs/ff_amber99sbildn_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (100 ms)
+58: [----------] 10 tests from Amber/Pdb2gmxTest (404 ms total)
 58: 
 58: [----------] 1 test from AmberTip4p/Pdb2gmxTest
 58: [ RUN      ] AmberTip4p/Pdb2gmxTest.Runs/ff_amber99sbildn_tip4p_vsite_none_id_or_ter_merge_no_tip4ppdb_format_gro_match_full
@@ -254625,8 +254535,8 @@
 58: The Amber99sb-ildn force field and the tip4p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] AmberTip4p/Pdb2gmxTest.Runs/ff_amber99sbildn_tip4p_vsite_none_id_or_ter_merge_no_tip4ppdb_format_gro_match_full (10 ms)
-58: [----------] 1 test from AmberTip4p/Pdb2gmxTest (10 ms total)
+58: [       OK ] AmberTip4p/Pdb2gmxTest.Runs/ff_amber99sbildn_tip4p_vsite_none_id_or_ter_merge_no_tip4ppdb_format_gro_match_full (11 ms)
+58: [----------] 1 test from AmberTip4p/Pdb2gmxTest (11 ms total)
 58: 
 58: [----------] 12 tests from Charmm/Pdb2gmxTest
 58: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file
@@ -254726,7 +254636,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (54 ms)
+58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Apdb_format_gro_match_file (29 ms)
 58: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -254827,7 +254737,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (27 ms)
+58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Bpdb_format_gro_match_file (23 ms)
 58: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -254924,7 +254834,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (23 ms)
+58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Cpdb_format_gro_match_file (21 ms)
 58: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -255023,7 +254933,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (22 ms)
+58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Dpdb_format_gro_match_file (20 ms)
 58: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -255124,7 +255034,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (60 ms)
+58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_Epdb_format_gro_match_file (55 ms)
 58: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_monomerpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -255312,7 +255222,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (25 ms)
+58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Apdb_format_gro_match_file (22 ms)
 58: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -255416,7 +255326,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (26 ms)
+58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Bpdb_format_gro_match_file (23 ms)
 58: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -255516,7 +255426,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (62 ms)
+58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Cpdb_format_gro_match_file (23 ms)
 58: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -255618,7 +255528,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (32 ms)
+58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Dpdb_format_gro_match_file (21 ms)
 58: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -255722,7 +255632,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (76 ms)
+58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_Epdb_format_gro_match_file (60 ms)
 58: [ RUN      ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_monomerpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -255812,8 +255722,8 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_monomerpdb_format_gro_match_file (11 ms)
-58: [----------] 12 tests from Charmm/Pdb2gmxTest (433 ms total)
+58: [       OK ] Charmm/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_h_id_or_ter_merge_no_monomerpdb_format_gro_match_file (10 ms)
+58: [----------] 12 tests from Charmm/Pdb2gmxTest (322 ms total)
 58: 
 58: [----------] 8 tests from ChainSep/Pdb2gmxTest
 58: [ RUN      ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_merge_all_chainTerpdb_format_gro_match_file
@@ -255927,7 +255837,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_merge_all_chainTerpdb_format_gro_match_file (23 ms)
+58: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_merge_all_chainTerpdb_format_gro_match_file (21 ms)
 58: [ RUN      ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_merge_no_chainTerpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -256233,7 +256143,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_all_chainTerpdb_format_gro_match_file (23 ms)
+58: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_all_chainTerpdb_format_gro_match_file (21 ms)
 58: [ RUN      ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_no_chainTerpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -256427,7 +256337,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_no_chainTerpdb_format_gro_match_file (17 ms)
+58: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_no_chainTerpdb_format_gro_match_file (18 ms)
 58: [ RUN      ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_chainTerpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -256545,7 +256455,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_chainTerpdb_format_gro_match_file (23 ms)
+58: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_chainTerpdb_format_gro_match_file (22 ms)
 58: [ RUN      ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_chainTerpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -256889,7 +256799,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_and_ter_merge_all_chainTerpdb_format_gro_match_file (22 ms)
+58: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_and_ter_merge_all_chainTerpdb_format_gro_match_file (21 ms)
 58: [ RUN      ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_and_ter_merge_no_chainTerpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -257041,7 +256951,7 @@
 58: 
 58: 		--------- ETON ESAELP ------------
 58: [       OK ] ChainSep/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_and_ter_merge_no_chainTerpdb_format_gro_match_file (17 ms)
-58: [----------] 8 tests from ChainSep/Pdb2gmxTest (164 ms total)
+58: [----------] 8 tests from ChainSep/Pdb2gmxTest (158 ms total)
 58: 
 58: [----------] 4 tests from ChainChanges/Pdb2gmxTest
 58: [ RUN      ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_merge_no_fragmentspdb_format_pdb_match_file
@@ -257185,7 +257095,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_merge_no_fragmentspdb_format_pdb_match_file (13 ms)
+58: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_merge_no_fragmentspdb_format_pdb_match_file (12 ms)
 58: [ RUN      ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_no_fragmentspdb_format_pdb_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -257327,7 +257237,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_no_fragmentspdb_format_pdb_match_file (14 ms)
+58: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_ter_merge_no_fragmentspdb_format_pdb_match_file (12 ms)
 58: [ RUN      ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_fragmentspdb_format_pdb_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -257469,7 +257379,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_fragmentspdb_format_pdb_match_file (15 ms)
+58: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_fragmentspdb_format_pdb_match_file (12 ms)
 58: [ RUN      ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_and_ter_merge_no_fragmentspdb_format_pdb_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -257611,8 +257521,8 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_and_ter_merge_no_fragmentspdb_format_pdb_match_file (13 ms)
-58: [----------] 4 tests from ChainChanges/Pdb2gmxTest (57 ms total)
+58: [       OK ] ChainChanges/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_and_ter_merge_no_fragmentspdb_format_pdb_match_file (12 ms)
+58: [----------] 4 tests from ChainChanges/Pdb2gmxTest (51 ms total)
 58: 
 58: [----------] 4 tests from Cyclic/Pdb2gmxTest
 58: [ RUN      ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_cycrnapdb_format_gro_match_file
@@ -257869,7 +257779,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_cycrnapdb_format_gro_match_file (184 ms)
+58: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_cycrnapdb_format_gro_match_file (182 ms)
 58: [ RUN      ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_cycprotpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -257956,7 +257866,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_cycprotpdb_format_gro_match_file (59 ms)
+58: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_no_cycprotpdb_format_gro_match_file (51 ms)
 58: [ RUN      ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_cycrnapdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -258136,7 +258046,7 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_cycrnapdb_format_gro_match_file (353 ms)
+58: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_cycrnapdb_format_gro_match_file (284 ms)
 58: [ RUN      ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_cycprotpdb_format_gro_match_file
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/aminoacids.r2b
 58: Opening force field file /build/reproducible-path/gromacs-2025.2/share/top/charmm27.ff/rna.r2b
@@ -258223,13 +258133,13 @@
 58: The Charmm27 force field and the tip3p water model are used.
 58: 
 58: 		--------- ETON ESAELP ------------
-58: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_cycprotpdb_format_gro_match_file (55 ms)
-58: [----------] 4 tests from Cyclic/Pdb2gmxTest (653 ms total)
+58: [       OK ] Cyclic/Pdb2gmxTest.Runs/ff_charmm27_tip3p_vsite_none_id_or_ter_merge_all_cycprotpdb_format_gro_match_file (50 ms)
+58: [----------] 4 tests from Cyclic/Pdb2gmxTest (570 ms total)
 58: 
 58: [----------] Global test environment tear-down
-58: [==========] 39 tests from 6 test suites ran. (1780 ms total)
+58: [==========] 39 tests from 6 test suites ran. (1518 ms total)
 58: [  PASSED  ] 39 tests.
-58/96 Test #58: Pdb2gmx3Test .................................   Passed    1.87 sec
+58/96 Test #58: Pdb2gmx3Test .................................   Passed    1.59 sec
 test 59
       Start 59: CorrelationsTest
 
@@ -258240,26 +258150,26 @@
 59: [----------] Global test environment set-up.
 59: [----------] 10 tests from AutocorrTest
 59: [ RUN      ] AutocorrTest.EacNormal
-59: [       OK ] AutocorrTest.EacNormal (10 ms)
+59: [       OK ] AutocorrTest.EacNormal (20 ms)
 59: [ RUN      ] AutocorrTest.EacNoNormalize
-59: [       OK ] AutocorrTest.EacNoNormalize (9 ms)
+59: [       OK ] AutocorrTest.EacNoNormalize (13 ms)
 59: [ RUN      ] AutocorrTest.EacCos
-59: [       OK ] AutocorrTest.EacCos (20 ms)
+59: [       OK ] AutocorrTest.EacCos (19 ms)
 59: [ RUN      ] AutocorrTest.EacVector
-59: [       OK ] AutocorrTest.EacVector (28 ms)
+59: [       OK ] AutocorrTest.EacVector (35 ms)
 59: [ RUN      ] AutocorrTest.EacRcross
 59: [       OK ] AutocorrTest.EacRcross (1 ms)
 59: [ RUN      ] AutocorrTest.EacP0
 59: [       OK ] AutocorrTest.EacP0 (29 ms)
 59: [ RUN      ] AutocorrTest.EacP1
-59: [       OK ] AutocorrTest.EacP1 (31 ms)
+59: [       OK ] AutocorrTest.EacP1 (30 ms)
 59: [ RUN      ] AutocorrTest.EacP2
-59: [       OK ] AutocorrTest.EacP2 (59 ms)
+59: [       OK ] AutocorrTest.EacP2 (62 ms)
 59: [ RUN      ] AutocorrTest.EacP3
 59: [       OK ] AutocorrTest.EacP3 (6 ms)
 59: [ RUN      ] AutocorrTest.EacP4
-59: [       OK ] AutocorrTest.EacP4 (31 ms)
-59: [----------] 10 tests from AutocorrTest (231 ms total)
+59: [       OK ] AutocorrTest.EacP4 (35 ms)
+59: [----------] 10 tests from AutocorrTest (256 ms total)
 59: 
 59: [----------] 10 tests from ExpfitTest
 59: [ RUN      ] ExpfitTest.EffnEXP1
@@ -258267,22 +258177,22 @@
 59: [ RUN      ] ExpfitTest.EffnEXP2
 59: [       OK ] ExpfitTest.EffnEXP2 (1 ms)
 59: [ RUN      ] ExpfitTest.EffnEXPEXP
-59: [       OK ] ExpfitTest.EffnEXPEXP (2 ms)
+59: [       OK ] ExpfitTest.EffnEXPEXP (1 ms)
 59: [ RUN      ] ExpfitTest.EffnEXP5
 59: [       OK ] ExpfitTest.EffnEXP5 (5 ms)
 59: [ RUN      ] ExpfitTest.EffnEXP7
 59: [       OK ] ExpfitTest.EffnEXP7 (4 ms)
 59: [ RUN      ] ExpfitTest.EffnEXP9
-59: [       OK ] ExpfitTest.EffnEXP9 (17 ms)
+59: [       OK ] ExpfitTest.EffnEXP9 (18 ms)
 59: [ RUN      ] ExpfitTest.EffnERF
-59: [       OK ] ExpfitTest.EffnERF (3 ms)
+59: [       OK ] ExpfitTest.EffnERF (2 ms)
 59: [ RUN      ] ExpfitTest.EffnERREST
-59: [       OK ] ExpfitTest.EffnERREST (3 ms)
+59: [       OK ] ExpfitTest.EffnERREST (2 ms)
 59: [ RUN      ] ExpfitTest.EffnVAC
-59: [       OK ] ExpfitTest.EffnVAC (7 ms)
+59: [       OK ] ExpfitTest.EffnVAC (6 ms)
 59: [ RUN      ] ExpfitTest.EffnPRES
-59: [       OK ] ExpfitTest.EffnPRES (15 ms)
-59: [----------] 10 tests from ExpfitTest (61 ms total)
+59: [       OK ] ExpfitTest.EffnPRES (12 ms)
+59: [----------] 10 tests from ExpfitTest (56 ms total)
 59: 
 59: [----------] 1 test from ManyAutocorrelationTest
 59: [ RUN      ] ManyAutocorrelationTest.Empty
@@ -258290,9 +258200,9 @@
 59: [----------] 1 test from ManyAutocorrelationTest (0 ms total)
 59: 
 59: [----------] Global test environment tear-down
-59: [==========] 21 tests from 3 test suites ran. (302 ms total)
+59: [==========] 21 tests from 3 test suites ran. (321 ms total)
 59: [  PASSED  ] 21 tests.
-59/96 Test #59: CorrelationsTest .............................   Passed    0.37 sec
+59/96 Test #59: CorrelationsTest .............................   Passed    0.40 sec
 test 60
       Start 60: AnalysisDataUnitTests
 
@@ -258327,7 +258237,7 @@
 60: [       OK ] AnalysisDataCommonTest/0.CanAddModuleAfterStoredData (0 ms)
 60: [ RUN      ] AnalysisDataCommonTest/0.LimitedStorageWorks
 60: [       OK ] AnalysisDataCommonTest/0.LimitedStorageWorks (0 ms)
-60: [----------] 8 tests from AnalysisDataCommonTest/0 (2 ms total)
+60: [----------] 8 tests from AnalysisDataCommonTest/0 (1 ms total)
 60: 
 60: [----------] 8 tests from AnalysisDataCommonTest/1, where TypeParam = gmx::test::(anonymous namespace)::DataSetsInputData
 60: [ RUN      ] AnalysisDataCommonTest/1.CallsModuleCorrectly
@@ -258346,7 +258256,7 @@
 60: [       OK ] AnalysisDataCommonTest/1.CanAddModuleAfterStoredData (0 ms)
 60: [ RUN      ] AnalysisDataCommonTest/1.LimitedStorageWorks
 60: [       OK ] AnalysisDataCommonTest/1.LimitedStorageWorks (0 ms)
-60: [----------] 8 tests from AnalysisDataCommonTest/1 (2 ms total)
+60: [----------] 8 tests from AnalysisDataCommonTest/1 (1 ms total)
 60: 
 60: [----------] 8 tests from AnalysisDataCommonTest/2, where TypeParam = gmx::test::(anonymous namespace)::MultipointInputData
 60: [ RUN      ] AnalysisDataCommonTest/2.CallsModuleCorrectly
@@ -258365,7 +258275,7 @@
 60: [       OK ] AnalysisDataCommonTest/2.CanAddModuleAfterStoredData (0 ms)
 60: [ RUN      ] AnalysisDataCommonTest/2.LimitedStorageWorks
 60: [       OK ] AnalysisDataCommonTest/2.LimitedStorageWorks (0 ms)
-60: [----------] 8 tests from AnalysisDataCommonTest/2 (2 ms total)
+60: [----------] 8 tests from AnalysisDataCommonTest/2 (1 ms total)
 60: 
 60: [----------] 8 tests from AnalysisDataCommonTest/3, where TypeParam = gmx::test::(anonymous namespace)::MultipointDataSetsInputData
 60: [ RUN      ] AnalysisDataCommonTest/3.CallsModuleCorrectly
@@ -258384,7 +258294,7 @@
 60: [       OK ] AnalysisDataCommonTest/3.CanAddModuleAfterStoredData (0 ms)
 60: [ RUN      ] AnalysisDataCommonTest/3.LimitedStorageWorks
 60: [       OK ] AnalysisDataCommonTest/3.LimitedStorageWorks (0 ms)
-60: [----------] 8 tests from AnalysisDataCommonTest/3 (2 ms total)
+60: [----------] 8 tests from AnalysisDataCommonTest/3 (1 ms total)
 60: 
 60: [----------] 4 tests from AnalysisArrayDataTest
 60: [ RUN      ] AnalysisArrayDataTest.CallsModuleCorrectly
@@ -258399,7 +258309,7 @@
 60: 
 60: [----------] 6 tests from AverageModuleTest
 60: [ RUN      ] AverageModuleTest.BasicTest
-60: [       OK ] AverageModuleTest.BasicTest (1 ms)
+60: [       OK ] AverageModuleTest.BasicTest (0 ms)
 60: [ RUN      ] AverageModuleTest.HandlesMultipointData
 60: [       OK ] AverageModuleTest.HandlesMultipointData (0 ms)
 60: [ RUN      ] AverageModuleTest.HandlesMultipleDataSets
@@ -258410,14 +258320,14 @@
 60: [       OK ] AverageModuleTest.CanCustomizeXAxis (0 ms)
 60: [ RUN      ] AverageModuleTest.CanCustomizeNonUniformXAxis
 60: [       OK ] AverageModuleTest.CanCustomizeNonUniformXAxis (0 ms)
-60: [----------] 6 tests from AverageModuleTest (5 ms total)
+60: [----------] 6 tests from AverageModuleTest (3 ms total)
 60: 
 60: [----------] 2 tests from FrameAverageModuleTest
 60: [ RUN      ] FrameAverageModuleTest.BasicTest
 60: [       OK ] FrameAverageModuleTest.BasicTest (0 ms)
 60: [ RUN      ] FrameAverageModuleTest.HandlesMultipleDataSets
 60: [       OK ] FrameAverageModuleTest.HandlesMultipleDataSets (0 ms)
-60: [----------] 2 tests from FrameAverageModuleTest (1 ms total)
+60: [----------] 2 tests from FrameAverageModuleTest (0 ms total)
 60: 
 60: [----------] 7 tests from AnalysisHistogramSettingsTest
 60: [ RUN      ] AnalysisHistogramSettingsTest.InitializesFromBins
@@ -258438,19 +258348,19 @@
 60: 
 60: [----------] 2 tests from SimpleHistogramModuleTest
 60: [ RUN      ] SimpleHistogramModuleTest.ComputesCorrectly
-60: [       OK ] SimpleHistogramModuleTest.ComputesCorrectly (1 ms)
+60: [       OK ] SimpleHistogramModuleTest.ComputesCorrectly (0 ms)
 60: [ RUN      ] SimpleHistogramModuleTest.ComputesCorrectlyWithAll
-60: [       OK ] SimpleHistogramModuleTest.ComputesCorrectlyWithAll (1 ms)
-60: [----------] 2 tests from SimpleHistogramModuleTest (2 ms total)
+60: [       OK ] SimpleHistogramModuleTest.ComputesCorrectlyWithAll (0 ms)
+60: [----------] 2 tests from SimpleHistogramModuleTest (1 ms total)
 60: 
 60: [----------] 3 tests from WeightedHistogramModuleTest
 60: [ RUN      ] WeightedHistogramModuleTest.ComputesCorrectly
-60: [       OK ] WeightedHistogramModuleTest.ComputesCorrectly (1 ms)
+60: [       OK ] WeightedHistogramModuleTest.ComputesCorrectly (0 ms)
 60: [ RUN      ] WeightedHistogramModuleTest.ComputesCorrectlyWithAll
-60: [       OK ] WeightedHistogramModuleTest.ComputesCorrectlyWithAll (1 ms)
+60: [       OK ] WeightedHistogramModuleTest.ComputesCorrectlyWithAll (0 ms)
 60: [ RUN      ] WeightedHistogramModuleTest.HandlesMultipleDataSets
-60: [       OK ] WeightedHistogramModuleTest.HandlesMultipleDataSets (1 ms)
-60: [----------] 3 tests from WeightedHistogramModuleTest (3 ms total)
+60: [       OK ] WeightedHistogramModuleTest.HandlesMultipleDataSets (0 ms)
+60: [----------] 3 tests from WeightedHistogramModuleTest (1 ms total)
 60: 
 60: [----------] 3 tests from BinAverageModuleTest
 60: [ RUN      ] BinAverageModuleTest.ComputesCorrectly
@@ -258459,7 +258369,7 @@
 60: [       OK ] BinAverageModuleTest.ComputesCorrectlyWithAll (0 ms)
 60: [ RUN      ] BinAverageModuleTest.HandlesMultipleDataSets
 60: [       OK ] BinAverageModuleTest.HandlesMultipleDataSets (0 ms)
-60: [----------] 3 tests from BinAverageModuleTest (2 ms total)
+60: [----------] 3 tests from BinAverageModuleTest (1 ms total)
 60: 
 60: [----------] 4 tests from AbstractAverageHistogramTest
 60: [ RUN      ] AbstractAverageHistogramTest.ClonesCorrectly
@@ -258470,7 +258380,7 @@
 60: [       OK ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidth (0 ms)
 60: [ RUN      ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidthWithIntegerBins
 60: [       OK ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidthWithIntegerBins (0 ms)
-60: [----------] 4 tests from AbstractAverageHistogramTest (2 ms total)
+60: [----------] 4 tests from AbstractAverageHistogramTest (1 ms total)
 60: 
 60: [----------] 3 tests from LifetimeModuleTest
 60: [ RUN      ] LifetimeModuleTest.BasicTest
@@ -258479,12 +258389,12 @@
 60: [       OK ] LifetimeModuleTest.CumulativeTest (0 ms)
 60: [ RUN      ] LifetimeModuleTest.HandlesMultipleDataSets
 60: [       OK ] LifetimeModuleTest.HandlesMultipleDataSets (0 ms)
-60: [----------] 3 tests from LifetimeModuleTest (1 ms total)
+60: [----------] 3 tests from LifetimeModuleTest (0 ms total)
 60: 
 60: [----------] Global test environment tear-down
-60: [==========] 69 tests from 14 test suites ran. (30 ms total)
+60: [==========] 69 tests from 14 test suites ran. (18 ms total)
 60: [  PASSED  ] 69 tests.
-60/96 Test #60: AnalysisDataUnitTests ........................   Passed    0.12 sec
+60/96 Test #60: AnalysisDataUnitTests ........................   Passed    0.10 sec
 test 61
       Start 61: CoordinateIOTests
 
@@ -258505,8 +258415,8 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] OutputSelectorDeathTest.RejectsBadSelection (2 ms)
-61: [----------] 1 test from OutputSelectorDeathTest (2 ms total)
+61: [       OK ] OutputSelectorDeathTest.RejectsBadSelection (1 ms)
+61: [----------] 1 test from OutputSelectorDeathTest (1 ms total)
 61: 
 61: [----------] 5 tests from TrajectoryFrameWriterTest
 61: [ RUN      ] TrajectoryFrameWriterTest.RejectsWrongFiletype
@@ -258520,7 +258430,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] TrajectoryFrameWriterTest.RejectsWrongFiletype (2 ms)
+61: [       OK ] TrajectoryFrameWriterTest.RejectsWrongFiletype (1 ms)
 61: [ RUN      ] TrajectoryFrameWriterTest.BuilderFailsWithPdbAndNoAtoms
 61: 
 61: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -258532,7 +258442,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] TrajectoryFrameWriterTest.BuilderFailsWithPdbAndNoAtoms (1 ms)
+61: [       OK ] TrajectoryFrameWriterTest.BuilderFailsWithPdbAndNoAtoms (0 ms)
 61: [ RUN      ] TrajectoryFrameWriterTest.BuilderFailsWithGroAndNoAtoms
 61: 
 61: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -258544,7 +258454,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] TrajectoryFrameWriterTest.BuilderFailsWithGroAndNoAtoms (1 ms)
+61: [       OK ] TrajectoryFrameWriterTest.BuilderFailsWithGroAndNoAtoms (0 ms)
 61: [ RUN      ] TrajectoryFrameWriterTest.BuilderImplictlyAddsAtoms
 61: 
 61: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -258566,10 +258476,10 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] TrajectoryFrameWriterTest.BuilderImplictlyAddsAtoms (3 ms)
+61: [       OK ] TrajectoryFrameWriterTest.BuilderImplictlyAddsAtoms (1 ms)
 61: [ RUN      ] TrajectoryFrameWriterTest.TNGOutputWorks
 61: [       OK ] TrajectoryFrameWriterTest.TNGOutputWorks (0 ms)
-61: [----------] 5 tests from TrajectoryFrameWriterTest (9 ms total)
+61: [----------] 5 tests from TrajectoryFrameWriterTest (5 ms total)
 61: 
 61: [----------] 5 tests from OutputAdapterContainer
 61: [ RUN      ] OutputAdapterContainer.MakeEmpty
@@ -258618,7 +258528,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] SetAtomsTest.RemovesExistingAtoms (1 ms)
+61: [       OK ] SetAtomsTest.RemovesExistingAtoms (0 ms)
 61: [ RUN      ] SetAtomsTest.AddsNewAtoms
 61: 
 61: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -258642,7 +258552,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] SetAtomsTest.ThrowsOnRequiredAtomsNotAvailable (2 ms)
+61: [       OK ] SetAtomsTest.ThrowsOnRequiredAtomsNotAvailable (1 ms)
 61: [ RUN      ] SetAtomsTest.WillUseOldAtomsWhenNoNewAvailable
 61: 
 61: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -258666,8 +258576,8 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] SetAtomsTest.ThrowsWhenUserAtomReplacementNotPossible (1 ms)
-61: [----------] 5 tests from SetAtomsTest (9 ms total)
+61: [       OK ] SetAtomsTest.ThrowsWhenUserAtomReplacementNotPossible (0 ms)
+61: [----------] 5 tests from SetAtomsTest (5 ms total)
 61: 
 61: [----------] 2 tests from SetBothTimeTest
 61: [ RUN      ] SetBothTimeTest.StartTimeZeroWorks
@@ -258700,7 +258610,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/0 (2 ms)
+61: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/0 (1 ms)
 61: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/1
 61: 
 61: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -258712,7 +258622,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/1 (1 ms)
+61: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/1 (0 ms)
 61: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/2
 61: 
 61: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -258724,7 +258634,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/2 (1 ms)
+61: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/2 (0 ms)
 61: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/3
 61: 
 61: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -258736,7 +258646,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/3 (1 ms)
+61: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/3 (0 ms)
 61: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/4
 61: 
 61: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -258748,7 +258658,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/4 (1 ms)
+61: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/4 (0 ms)
 61: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/5
 61: 
 61: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -258760,8 +258670,8 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/5 (1 ms)
-61: [----------] 6 tests from CoordinateFileFileFormats/TrajectoryFrameWriterTest (10 ms total)
+61: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/5 (0 ms)
+61: [----------] 6 tests from CoordinateFileFileFormats/TrajectoryFrameWriterTest (5 ms total)
 61: 
 61: [----------] 3 tests from ModuleSupported/SetAtomsSupportedFiles
 61: [ RUN      ] ModuleSupported/SetAtomsSupportedFiles.Works/0
@@ -258775,7 +258685,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/0 (1 ms)
+61: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/0 (0 ms)
 61: [ RUN      ] ModuleSupported/SetAtomsSupportedFiles.Works/1
 61: 
 61: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -258787,7 +258697,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/1 (1 ms)
+61: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/1 (0 ms)
 61: [ RUN      ] ModuleSupported/SetAtomsSupportedFiles.Works/2
 61: 
 61: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -258799,8 +258709,8 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/2 (1 ms)
-61: [----------] 3 tests from ModuleSupported/SetAtomsSupportedFiles (4 ms total)
+61: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/2 (0 ms)
+61: [----------] 3 tests from ModuleSupported/SetAtomsSupportedFiles (2 ms total)
 61: 
 61: [----------] 3 tests from ModuleUnSupported/SetAtomsUnSupportedFiles
 61: [ RUN      ] ModuleUnSupported/SetAtomsUnSupportedFiles.Works/0
@@ -258833,7 +258743,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/0 (3 ms)
+61: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/0 (2 ms)
 61: [ RUN      ] ModuleSupported/AnyOutputSupportedFiles.Works/1
 61: 
 61: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -258855,7 +258765,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/1 (3 ms)
+61: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/1 (2 ms)
 61: [ RUN      ] ModuleSupported/AnyOutputSupportedFiles.Works/2
 61: 
 61: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -258877,7 +258787,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/2 (2 ms)
+61: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/2 (1 ms)
 61: [ RUN      ] ModuleSupported/AnyOutputSupportedFiles.Works/3
 61: 
 61: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -258899,8 +258809,8 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/3 (3 ms)
-61: [----------] 4 tests from ModuleSupported/AnyOutputSupportedFiles (12 ms total)
+61: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/3 (2 ms)
+61: [----------] 4 tests from ModuleSupported/AnyOutputSupportedFiles (8 ms total)
 61: 
 61: [----------] 3 tests from ModuleSupported/SetVelocitySupportedFiles
 61: [ RUN      ] ModuleSupported/SetVelocitySupportedFiles.Works/0
@@ -258926,7 +258836,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] ModuleSupported/SetVelocitySupportedFiles.Works/1 (1 ms)
+61: [       OK ] ModuleSupported/SetVelocitySupportedFiles.Works/1 (0 ms)
 61: [ RUN      ] ModuleSupported/SetVelocitySupportedFiles.Works/2
 61: 
 61: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -258938,7 +258848,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] ModuleSupported/SetVelocitySupportedFiles.Works/2 (1 ms)
+61: [       OK ] ModuleSupported/SetVelocitySupportedFiles.Works/2 (0 ms)
 61: [----------] 3 tests from ModuleSupported/SetVelocitySupportedFiles (3 ms total)
 61: 
 61: [----------] 3 tests from ModuleUnSupported/SetVelocityUnSupportedFiles
@@ -258962,7 +258872,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] ModuleSupported/SetForceSupportedFiles.Works/0 (1 ms)
+61: [       OK ] ModuleSupported/SetForceSupportedFiles.Works/0 (0 ms)
 61: [ RUN      ] ModuleSupported/SetForceSupportedFiles.Works/1
 61: 
 61: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -258974,8 +258884,8 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] ModuleSupported/SetForceSupportedFiles.Works/1 (1 ms)
-61: [----------] 2 tests from ModuleSupported/SetForceSupportedFiles (2 ms total)
+61: [       OK ] ModuleSupported/SetForceSupportedFiles.Works/1 (0 ms)
+61: [----------] 2 tests from ModuleSupported/SetForceSupportedFiles (1 ms total)
 61: 
 61: [----------] 4 tests from ModuleUnSupported/SetForceUnSupportedFiles
 61: [ RUN      ] ModuleUnSupported/SetForceUnSupportedFiles.Works/0
@@ -259000,7 +258910,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] ModuleSupported/SetPrecisionSupportedFiles.Works/0 (1 ms)
+61: [       OK ] ModuleSupported/SetPrecisionSupportedFiles.Works/0 (0 ms)
 61: [ RUN      ] ModuleSupported/SetPrecisionSupportedFiles.Works/1
 61: 
 61: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -259012,8 +258922,8 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] ModuleSupported/SetPrecisionSupportedFiles.Works/1 (1 ms)
-61: [----------] 2 tests from ModuleSupported/SetPrecisionSupportedFiles (2 ms total)
+61: [       OK ] ModuleSupported/SetPrecisionSupportedFiles.Works/1 (0 ms)
+61: [----------] 2 tests from ModuleSupported/SetPrecisionSupportedFiles (1 ms total)
 61: 
 61: [----------] 4 tests from ModuleUnSupported/SetPrecisionUnSupportedFiles
 61: [ RUN      ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/0
@@ -259050,7 +258960,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] ModuleSupported/NoOptionalOutput.Works/1 (1 ms)
+61: [       OK ] ModuleSupported/NoOptionalOutput.Works/1 (0 ms)
 61: [ RUN      ] ModuleSupported/NoOptionalOutput.Works/2
 61: 
 61: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -259062,7 +258972,7 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] ModuleSupported/NoOptionalOutput.Works/2 (1 ms)
+61: [       OK ] ModuleSupported/NoOptionalOutput.Works/2 (0 ms)
 61: [ RUN      ] ModuleSupported/NoOptionalOutput.Works/3
 61: 
 61: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -259074,13 +258984,13 @@
 61:          be removed in a future GROMACS version. Please, consider
 61:          using another file format for your input.
 61: 
-61: [       OK ] ModuleSupported/NoOptionalOutput.Works/3 (1 ms)
-61: [----------] 4 tests from ModuleSupported/NoOptionalOutput (4 ms total)
+61: [       OK ] ModuleSupported/NoOptionalOutput.Works/3 (0 ms)
+61: [----------] 4 tests from ModuleSupported/NoOptionalOutput (3 ms total)
 61: 
 61: [----------] Global test environment tear-down
-61: [==========] 67 tests from 20 test suites ran. (65 ms total)
+61: [==========] 67 tests from 20 test suites ran. (41 ms total)
 61: [  PASSED  ] 67 tests.
-61/96 Test #61: CoordinateIOTests ............................   Passed    0.16 sec
+61/96 Test #61: CoordinateIOTests ............................   Passed    0.12 sec
 test 62
       Start 62: TrajectoryAnalysisUnitTests
 
@@ -259141,7 +259051,7 @@
 62:          be removed in a future GROMACS version. Please, consider
 62:          using another file format for your input.
 62: 
-62: [       OK ] AngleModuleTest.ComputesVectorPlanePairAngles (2 ms)
+62: [       OK ] AngleModuleTest.ComputesVectorPlanePairAngles (1 ms)
 62: [ RUN      ] AngleModuleTest.ComputesPlaneZAxisAngles
 62: Analyzed topology coordinates
 62: 
@@ -259154,7 +259064,7 @@
 62:          be removed in a future GROMACS version. Please, consider
 62:          using another file format for your input.
 62: 
-62: [       OK ] AngleModuleTest.ComputesPlaneZAxisAngles (2 ms)
+62: [       OK ] AngleModuleTest.ComputesPlaneZAxisAngles (1 ms)
 62: [ RUN      ] AngleModuleTest.ComputesVectorSphereNormalZAxisAngles
 62: Analyzed topology coordinates
 62: 
@@ -259167,7 +259077,7 @@
 62:          be removed in a future GROMACS version. Please, consider
 62:          using another file format for your input.
 62: 
-62: [       OK ] AngleModuleTest.ComputesVectorSphereNormalZAxisAngles (2 ms)
+62: [       OK ] AngleModuleTest.ComputesVectorSphereNormalZAxisAngles (1 ms)
 62: [ RUN      ] AngleModuleTest.ComputesVectorTimeZeroAngles
 62: Reading frames from gro file 'Test system for different angles', 33 atoms.
 62: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
@@ -259195,7 +259105,7 @@
 62:          be removed in a future GROMACS version. Please, consider
 62:          using another file format for your input.
 62: 
-62: [       OK ] AngleModuleTest.ComputesMultipleAngles (2 ms)
+62: [       OK ] AngleModuleTest.ComputesMultipleAngles (1 ms)
 62: [ RUN      ] AngleModuleTest.HandlesDynamicSelections
 62: Analyzed topology coordinates
 62: 
@@ -259208,7 +259118,7 @@
 62:          be removed in a future GROMACS version. Please, consider
 62:          using another file format for your input.
 62: 
-62: [       OK ] AngleModuleTest.HandlesDynamicSelections (2 ms)
+62: [       OK ] AngleModuleTest.HandlesDynamicSelections (1 ms)
 62: [ RUN      ] AngleModuleTest.HandlesOneVsMultipleVectorAngles
 62: Analyzed topology coordinates
 62: 
@@ -259221,7 +259131,7 @@
 62:          be removed in a future GROMACS version. Please, consider
 62:          using another file format for your input.
 62: 
-62: [       OK ] AngleModuleTest.HandlesOneVsMultipleVectorAngles (2 ms)
+62: [       OK ] AngleModuleTest.HandlesOneVsMultipleVectorAngles (1 ms)
 62: [ RUN      ] AngleModuleTest.HandlesOneVsMultipleVectorGroupsAngles
 62: Analyzed topology coordinates
 62: 
@@ -259235,7 +259145,7 @@
 62:          using another file format for your input.
 62: 
 62: [       OK ] AngleModuleTest.HandlesOneVsMultipleVectorGroupsAngles (2 ms)
-62: [----------] 11 tests from AngleModuleTest (26 ms total)
+62: [----------] 11 tests from AngleModuleTest (22 ms total)
 62: 
 62: [----------] 5 tests from ClustsizeTest
 62: [ RUN      ] ClustsizeTest.NoMolDefaultCutoff
@@ -259246,7 +259156,7 @@
 62: Total number of atoms in clusters =  24
 62: cmid: 2, cmax: 4, max_size: 6
 62:  16% 33% 50% 66% 83%100%cmid: 6, cmax: 18, max_size: 6
-62:  16% 33% 50% 66% 83%100%[       OK ] ClustsizeTest.NoMolDefaultCutoff (2 ms)
+62:  16% 33% 50% 66% 83%100%[       OK ] ClustsizeTest.NoMolDefaultCutoff (1 ms)
 62: [ RUN      ] ClustsizeTest.NoMolShortCutoff
 62: Reading frames from pdb file
Reading frame       0 time    0.000   Group     0 (            SOL) has    24 elements
 62: There is one group in the index
@@ -259264,7 +259174,7 @@
 62: Total number of atoms in clusters =  8
 62: cmid: 2, cmax: 4, max_size: 2
 62:  50%100%cmid: 2, cmax: 6, max_size: 2
-62:  50%100%[       OK ] ClustsizeTest.MolDefaultCutoff (3 ms)
+62:  50%100%[       OK ] ClustsizeTest.MolDefaultCutoff (2 ms)
 62: [ RUN      ] ClustsizeTest.MolShortCutoff
 62: Reading frames from pdb file
Reading frame       0 time    0.000   Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
@@ -259273,7 +259183,7 @@
 62: Total number of atoms in clusters =  8
 62: cmid: 1, cmax: 6, max_size: 2
 62:  50%100%cmid: 2, cmax: 6, max_size: 2
-62:  50%100%[       OK ] ClustsizeTest.MolShortCutoff (2 ms)
+62:  50%100%[       OK ] ClustsizeTest.MolShortCutoff (1 ms)
 62: [ RUN      ] ClustsizeTest.MolCSize
 62: Reading frames from pdb file
Reading frame       0 time    0.000   Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
@@ -259282,12 +259192,12 @@
 62: Total number of atoms in clusters =  8
 62: cmid: 2, cmax: 4, max_size: 2
 62:  50%100%cmid: 2, cmax: 6, max_size: 2
-62:  50%100%[       OK ] ClustsizeTest.MolCSize (2 ms)
-62: [----------] 5 tests from ClustsizeTest (11 ms total)
+62:  50%100%[       OK ] ClustsizeTest.MolCSize (1 ms)
+62: [----------] 5 tests from ClustsizeTest (8 ms total)
 62: 
 62: [----------] 4 tests from TrajectoryAnalysisCommandLineRunnerTest
 62: [ RUN      ] TrajectoryAnalysisCommandLineRunnerTest.WritesHelp
-62: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.WritesHelp (1 ms)
+62: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.WritesHelp (0 ms)
 62: [ RUN      ] TrajectoryAnalysisCommandLineRunnerTest.RunsWithSubsetTrajectory
 62: Reading frames from gro file 'Test system', 8 atoms.
 62: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
@@ -259302,7 +259212,7 @@
 62:          be removed in a future GROMACS version. Please, consider
 62:          using another file format for your input.
 62: 
-62: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.RunsWithSubsetTrajectory (2 ms)
+62: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.RunsWithSubsetTrajectory (1 ms)
 62: [ RUN      ] TrajectoryAnalysisCommandLineRunnerTest.DetectsIncorrectTrajectorySubset
 62: Reading frames from gro file 'Test system', 8 atoms.
 62: 
Reading frame       0 time    0.000   
@@ -259315,10 +259225,10 @@
 62:          be removed in a future GROMACS version. Please, consider
 62:          using another file format for your input.
 62: 
-62: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.DetectsIncorrectTrajectorySubset (2 ms)
+62: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.DetectsIncorrectTrajectorySubset (1 ms)
 62: [ RUN      ] TrajectoryAnalysisCommandLineRunnerTest.FailsWithTrajectorySubsetWithoutTrajectory
 62: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.FailsWithTrajectorySubsetWithoutTrajectory (0 ms)
-62: [----------] 4 tests from TrajectoryAnalysisCommandLineRunnerTest (5 ms total)
+62: [----------] 4 tests from TrajectoryAnalysisCommandLineRunnerTest (4 ms total)
 62: 
 62: [----------] 4 tests from ConvertTrjModuleTest
 62: [ RUN      ] ConvertTrjModuleTest.WritesNormalOutput
@@ -259326,7 +259236,7 @@
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
 62: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 62: Analyzed 1 frames, last time 0.000
-62: [       OK ] ConvertTrjModuleTest.WritesNormalOutput (16 ms)
+62: [       OK ] ConvertTrjModuleTest.WritesNormalOutput (11 ms)
 62: [ RUN      ] ConvertTrjModuleTest.WritesAtomSubset
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
@@ -259346,8 +259256,8 @@
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 24 atoms
 62: 
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
 62: Analyzed 2 frames, last time 0.000
-62: [       OK ] ConvertTrjModuleTest.WorksWithAtomsAndSelection (1 ms)
-62: [----------] 4 tests from ConvertTrjModuleTest (27 ms total)
+62: [       OK ] ConvertTrjModuleTest.WorksWithAtomsAndSelection (2 ms)
+62: [----------] 4 tests from ConvertTrjModuleTest (22 ms total)
 62: 
 62: [----------] 6 tests from DistanceModuleTest
 62: [ RUN      ] DistanceModuleTest.ComputesDistances
@@ -259421,7 +259331,7 @@
 62:   Number of samples:  2
 62:   Average distance:   1.00000  nm
 62:   Standard deviation: 0.00000  nm
-62: [       OK ] DistanceModuleTest.HandlesSelectionFromGroup (7 ms)
+62: [       OK ] DistanceModuleTest.HandlesSelectionFromGroup (6 ms)
 62: [ RUN      ] DistanceModuleTest.HandlesSelectionFromGroupWithSuccessiveIndices
 62: Analyzed topology coordinates
 62: 
@@ -259438,7 +259348,7 @@
 62:   Number of samples:  2
 62:   Average distance:   1.00000  nm
 62:   Standard deviation: 0.00000  nm
-62: [       OK ] DistanceModuleTest.HandlesSelectionFromGroupWithSuccessiveIndices (7 ms)
+62: [       OK ] DistanceModuleTest.HandlesSelectionFromGroupWithSuccessiveIndices (5 ms)
 62: [ RUN      ] DistanceModuleTest.HandlesSelectionFromLargeGroup
 62: Analyzed topology coordinates
 62: 
@@ -259455,8 +259365,8 @@
 62:   Number of samples:  10
 62:   Average distance:   1.82913  nm
 62:   Standard deviation: 0.78478  nm
-62: [       OK ] DistanceModuleTest.HandlesSelectionFromLargeGroup (6 ms)
-62: [----------] 6 tests from DistanceModuleTest (31 ms total)
+62: [       OK ] DistanceModuleTest.HandlesSelectionFromLargeGroup (7 ms)
+62: [----------] 6 tests from DistanceModuleTest (28 ms total)
 62: 
 62: [----------] 2 tests from ExtractClusterModuleTest
 62: [ RUN      ] ExtractClusterModuleTest.WorksWithAllAtoms
@@ -259539,7 +259449,7 @@
 62: Molecular volume Vm assuming homogeneity: 0.2027 +/- 0.0000 nm^3
 62: Molecular van der Waals volume assuming homogeneity:  0.1256 +/- 0.0000 nm^3
 62: Fractional free volume 0.194 +/- 0.000
-62: [       OK ] FreeVolumeModuleTest.ComputesFreeVolume (46 ms)
+62: [       OK ] FreeVolumeModuleTest.ComputesFreeVolume (49 ms)
 62: [ RUN      ] FreeVolumeModuleTest.ComputesFreeVolumeSelection
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
@@ -259596,8 +259506,8 @@
 62: Molecular volume Vm assuming homogeneity: 0.2027 +/- 0.0000 nm^3
 62: Molecular van der Waals volume assuming homogeneity:  0.1247 +/- 0.0000 nm^3
 62: Fractional free volume 0.200 +/- 0.000
-62: [       OK ] FreeVolumeModuleTest.ComputesFreeVolumeSelection (41 ms)
-62: [----------] 2 tests from FreeVolumeModuleTest (88 ms total)
+62: [       OK ] FreeVolumeModuleTest.ComputesFreeVolumeSelection (44 ms)
+62: [----------] 2 tests from FreeVolumeModuleTest (94 ms total)
 62: 
 62: [----------] 13 tests from MsdModuleTest
 62: [ RUN      ] MsdModuleTest.threeDimensionalDiffusion
@@ -259695,7 +259605,7 @@
 62: WARNING: -dt and -trestart are equal. Statistics for each tau data point will not be independent.
 62: 
Reading frame       2 time    4.000   
Reading frame       3 time    6.000   
Reading frame       4 time    8.000   
Reading frame       5 time   10.000   
Reading frame       6 time   12.000   
Reading frame       7 time   14.000   
Reading frame       8 time   16.000   
Reading frame       9 time   18.000   
Reading frame      10 time   20.000   
Reading frame      11 time   22.000   
Reading frame      12 time   24.000   
Reading frame      13 time   26.000   
Reading frame      14 time   28.000   
Reading frame      15 time   30.000   
Reading frame      16 time   32.000   
Reading frame      17 time   34.000   
Reading frame      18 time   36.000   
Reading frame      19 time   38.000   
Reading frame      20 time   40.000   
Last frame         20 time   40.000   
 62: Analyzed 21 frames, last time 40.000
-62: Setting the LD random seed to -1233162455
+62: Setting the LD random seed to 1809805169
 62: 
 62: Generated 2145 of the 2145 non-bonded parameter combinations
 62: 
@@ -259724,7 +259634,7 @@
 62: Note that mdrun will redetermine rlist based on the actual pair-list setup
 62: 
 62: This run will generate roughly 0 Mb of data
-62: [       OK ] MsdModuleTest.multipleGroupsWork (21 ms)
+62: [       OK ] MsdModuleTest.multipleGroupsWork (16 ms)
 62: [ RUN      ] MsdModuleTest.subPicosecondTrajectoryWorks
 62: 
 62: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_subPicosecondTrajectoryWorks.mdp]:
@@ -259764,7 +259674,7 @@
 62: WARNING: -dt and -trestart are equal. Statistics for each tau data point will not be independent.
 62: 
Reading frame       2 time    0.200   
Reading frame       3 time    0.300   
Reading frame       4 time    0.400   
Reading frame       5 time    0.500   
Reading frame       6 time    0.600   
Reading frame       7 time    0.700   
Reading frame       8 time    0.800   
Reading frame       9 time    0.900   
Reading frame      10 time    1.000   
Reading frame      11 time    1.100   
Reading frame      12 time    1.200   
Reading frame      13 time    1.300   
Reading frame      14 time    1.400   
Reading frame      15 time    1.500   
Reading frame      16 time    1.600   
Reading frame      17 time    1.700   
Reading frame      18 time    1.800   
Reading frame      19 time    1.900   
Reading frame      20 time    2.000   
Last frame         20 time    2.000   
 62: Analyzed 21 frames, last time 2.000
-62: Setting the LD random seed to 2063433663
+62: Setting the LD random seed to -68691978
 62: 
 62: Generated 2145 of the 2145 non-bonded parameter combinations
 62: 
@@ -259793,7 +259703,7 @@
 62: Note that mdrun will redetermine rlist based on the actual pair-list setup
 62: 
 62: This run will generate roughly 0 Mb of data
-62: [       OK ] MsdModuleTest.subPicosecondTrajectoryWorks (16 ms)
+62: [       OK ] MsdModuleTest.subPicosecondTrajectoryWorks (15 ms)
 62: [ RUN      ] MsdModuleTest.trestartLessThanDt
 62: 
 62: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_trestartLessThanDt.mdp]:
@@ -259829,7 +259739,7 @@
 62: There were 5 NOTEs
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_trestartLessThanDt.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_trestartLessThanDt.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-62: 
Reading frame       0 time    0.000   
Reading frame       1 time    2.000   Setting the LD random seed to -1217937930
+62: 
Reading frame       0 time    0.000   
Reading frame       1 time    2.000   Setting the LD random seed to 532569718
 62: 
 62: Generated 2145 of the 2145 non-bonded parameter combinations
 62: 
@@ -259896,7 +259806,7 @@
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_trestartGreaterThanDt.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 62: 
Reading frame       0 time    0.000   
Reading frame       1 time    2.000   
Reading frame       2 time    4.000   
Reading frame       3 time    6.000   
Reading frame       4 time    8.000   
Reading frame       5 time   10.000   
Reading frame       6 time   12.000   
Reading frame       7 time   14.000   
Reading frame       8 time   16.000   
Reading frame       9 time   18.000   
Reading frame      10 time   20.000   
Reading frame      11 time   22.000   
Reading frame      12 time   24.000   
Reading frame      13 time   26.000   
Reading frame      14 time   28.000   
Reading frame      15 time   30.000   
Reading frame      16 time   32.000   
Reading frame      17 time   34.000   
Reading frame      18 time   36.000   
Reading frame      19 time   38.000   
Reading frame      20 time   40.000   
Last frame         20 time   40.000   
 62: Analyzed 21 frames, last time 40.000
-62: Setting the LD random seed to -968122994
+62: Setting the LD random seed to -547887810
 62: 
 62: Generated 2145 of the 2145 non-bonded parameter combinations
 62: 
@@ -259961,7 +259871,7 @@
 62: There were 5 NOTEs
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_trestartGreaterThanDtAndNotAMultipleOfDt.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_trestartGreaterThanDtAndNotAMultipleOfDt.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-62: 
Reading frame       0 time    0.000   
Reading frame       1 time    2.000   Setting the LD random seed to -272696386
+62: 
Reading frame       0 time    0.000   
Reading frame       1 time    2.000   Setting the LD random seed to 1524430828
 62: 
 62: Generated 2145 of the 2145 non-bonded parameter combinations
 62: 
@@ -260028,7 +259938,7 @@
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/MsdModuleTest_molTest.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 62: 
Reading frame       0 time    0.000   
Reading frame       1 time    2.000   
Reading frame       2 time    4.000   
Reading frame       3 time    6.000   
Reading frame       4 time    8.000   
Reading frame       5 time   10.000   
Reading frame       6 time   12.000   
Reading frame       7 time   14.000   
Reading frame       8 time   16.000   
Reading frame       9 time   18.000   
Reading frame      10 time   20.000   
Reading frame      11 time   22.000   
Reading frame      12 time   24.000   
Reading frame      13 time   26.000   
Reading frame      14 time   28.000   
Reading frame      15 time   30.000   
Reading frame      16 time   32.000   
Reading frame      17 time   34.000   
Reading frame      18 time   36.000   
Reading frame      19 time   38.000   
Reading frame      20 time   40.000   
Last frame         20 time   40.000   
 62: Analyzed 21 frames, last time 40.000
-62: Setting the LD random seed to -13764867
+62: Setting the LD random seed to -9241095
 62: 
 62: Generated 2145 of the 2145 non-bonded parameter combinations
 62: 
@@ -260097,7 +260007,7 @@
 62: WARNING: -dt and -trestart are equal. Statistics for each tau data point will not be independent.
 62: 
Reading frame       2 time    4.000   
Reading frame       3 time    6.000   
Reading frame       4 time    8.000   
Reading frame       5 time   10.000   
Reading frame       6 time   12.000   
Reading frame       7 time   14.000   
Reading frame       8 time   16.000   
Reading frame       9 time   18.000   
Reading frame      10 time   20.000   
Reading frame      11 time   22.000   
Reading frame      12 time   24.000   
Reading frame      13 time   26.000   
Reading frame      14 time   28.000   
Reading frame      15 time   30.000   
Reading frame      16 time   32.000   
Reading frame      17 time   34.000   
Reading frame      18 time   36.000   
Reading frame      19 time   38.000   
Reading frame      20 time   40.000   
Last frame         20 time   40.000   
 62: Analyzed 21 frames, last time 40.000
-62: Setting the LD random seed to -1217433677
+62: Setting the LD random seed to -546054401
 62: 
 62: Generated 2145 of the 2145 non-bonded parameter combinations
 62: 
@@ -260166,7 +260076,7 @@
 62: WARNING: -dt and -trestart are equal. Statistics for each tau data point will not be independent.
 62: 
Reading frame       2 time    4.000   
Reading frame       3 time    6.000   
Reading frame       4 time    8.000   
Reading frame       5 time   10.000   
Reading frame       6 time   12.000   
Reading frame       7 time   14.000   
Reading frame       8 time   16.000   
Reading frame       9 time   18.000   
Reading frame      10 time   20.000   
Reading frame      11 time   22.000   
Reading frame      12 time   24.000   
Reading frame      13 time   26.000   
Reading frame      14 time   28.000   
Reading frame      15 time   30.000   
Reading frame      16 time   32.000   
Reading frame      17 time   34.000   
Reading frame      18 time   36.000   
Reading frame      19 time   38.000   
Reading frame      20 time   40.000   
Last frame         20 time   40.000   
 62: Analyzed 21 frames, last time 40.000
-62: Setting the LD random seed to -1123649
+62: Setting the LD random seed to -452993107
 62: 
 62: Generated 2145 of the 2145 non-bonded parameter combinations
 62: 
@@ -260238,7 +260148,7 @@
 62: WARNING: -dt and -trestart are equal. Statistics for each tau data point will not be independent.
 62: 
Reading frame       2 time    4.000   
Reading frame       3 time    6.000   
Reading frame       4 time    8.000   
Reading frame       5 time   10.000   
Reading frame       6 time   12.000   
Reading frame       7 time   14.000   
Reading frame       8 time   16.000   
Reading frame       9 time   18.000   
Reading frame      10 time   20.000   
Reading frame      11 time   22.000   
Reading frame      12 time   24.000   
Reading frame      13 time   26.000   
Reading frame      14 time   28.000   
Reading frame      15 time   30.000   
Reading frame      16 time   32.000   
Reading frame      17 time   34.000   
Reading frame      18 time   36.000   
Reading frame      19 time   38.000   
Reading frame      20 time   40.000   
Last frame         20 time   40.000   
 62: Analyzed 21 frames, last time 40.000
-62: Setting the LD random seed to -210249987
+62: Setting the LD random seed to -1359644166
 62: 
 62: Generated 2145 of the 2145 non-bonded parameter combinations
 62: 
@@ -260268,7 +260178,7 @@
 62: 
 62: This run will generate roughly 0 Mb of data
 62: [       OK ] MsdModuleTest.notEnoughPointsForFitErrorEstimate (13 ms)
-62: [----------] 13 tests from MsdModuleTest (132 ms total)
+62: [----------] 13 tests from MsdModuleTest (125 ms total)
 62: 
 62: [----------] 9 tests from PairDistanceModuleTest
 62: [ RUN      ] PairDistanceModuleTest.ComputesAllDistances
@@ -260408,7 +260318,7 @@
 62: Reading frames from gro file '216H2O,WATJP01,SPC216,SPC-MODEL,300K,BOX(M)=1.86206NM,WFVG,MAR. 1984', 648 atoms.
 62: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 62: Analyzed 1 frames, last time 0.000
-62: [       OK ] RdfModuleTest.SelectionsSolelyFromIndexFileWork (9 ms)
+62: [       OK ] RdfModuleTest.SelectionsSolelyFromIndexFileWork (10 ms)
 62: [ RUN      ] RdfModuleTest.SelectionsFromBothTopologyFileAndIndexFileWork
 62: Analyzed topology coordinates
 62: 
@@ -260421,7 +260331,7 @@
 62:          be removed in a future GROMACS version. Please, consider
 62:          using another file format for your input.
 62: 
-62: [       OK ] RdfModuleTest.SelectionsFromBothTopologyFileAndIndexFileWork (10 ms)
+62: [       OK ] RdfModuleTest.SelectionsFromBothTopologyFileAndIndexFileWork (11 ms)
 62: [ RUN      ] RdfModuleTest.CalculatesSurf
 62: Analyzed topology coordinates
 62: 
@@ -260447,8 +260357,8 @@
 62:          be removed in a future GROMACS version. Please, consider
 62:          using another file format for your input.
 62: 
-62: [       OK ] RdfModuleTest.CalculatesXY (11 ms)
-62: [----------] 5 tests from RdfModuleTest (48 ms total)
+62: [       OK ] RdfModuleTest.CalculatesXY (14 ms)
+62: [----------] 5 tests from RdfModuleTest (54 ms total)
 62: 
 62: [----------] 5 tests from SasaModuleTest
 62: [ RUN      ] SasaModuleTest.BasicTest
@@ -260494,7 +260404,7 @@
 62: -------- -------- --- Thank You --- -------- --------
 62: 
 62: Analyzed topology coordinates
-62: [       OK ] SasaModuleTest.BasicTest (8 ms)
+62: [       OK ] SasaModuleTest.BasicTest (6 ms)
 62: [ RUN      ] SasaModuleTest.HandlesSelectedResidues
 62: 
 62: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
@@ -260626,7 +260536,7 @@
 62: -------- -------- --- Thank You --- -------- --------
 62: 
 62: Analyzed topology coordinates
-62: [       OK ] SasaModuleTest.HandlesDynamicOutputGroup (5 ms)
+62: [       OK ] SasaModuleTest.HandlesDynamicOutputGroup (8 ms)
 62: [ RUN      ] SasaModuleTest.HandlesDynamicCalculationGroup
 62: 
 62: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
@@ -260671,7 +260581,7 @@
 62: 
 62: Analyzed topology coordinates
 62: [       OK ] SasaModuleTest.HandlesDynamicCalculationGroup (4 ms)
-62: [----------] 5 tests from SasaModuleTest (25 ms total)
+62: [----------] 5 tests from SasaModuleTest (26 ms total)
 62: 
 62: [----------] 8 tests from SelectModuleTest
 62: [ RUN      ] SelectModuleTest.BasicTest
@@ -260703,7 +260613,7 @@
 62:          be removed in a future GROMACS version. Please, consider
 62:          using another file format for your input.
 62: 
-62: [       OK ] SelectModuleTest.HandlesPDBOutputWithNonPDBInput (1 ms)
+62: [       OK ] SelectModuleTest.HandlesPDBOutputWithNonPDBInput (2 ms)
 62: [ RUN      ] SelectModuleTest.HandlesPDBOutputWithPDBInput
 62: Reading frames from gro file 'Test system', 15 atoms.
 62: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
@@ -260718,7 +260628,7 @@
 62:          be removed in a future GROMACS version. Please, consider
 62:          using another file format for your input.
 62: 
-62: [       OK ] SelectModuleTest.HandlesPDBOutputWithPDBInput (1 ms)
+62: [       OK ] SelectModuleTest.HandlesPDBOutputWithPDBInput (2 ms)
 62: [ RUN      ] SelectModuleTest.HandlesMaxPDBOutput
 62: Reading frames from gro file 'Test system', 15 atoms.
 62: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
@@ -260733,7 +260643,7 @@
 62:          be removed in a future GROMACS version. Please, consider
 62:          using another file format for your input.
 62: 
-62: [       OK ] SelectModuleTest.HandlesMaxPDBOutput (1 ms)
+62: [       OK ] SelectModuleTest.HandlesMaxPDBOutput (2 ms)
 62: [ RUN      ] SelectModuleTest.HandlesSelectedPDBOutput
 62: Reading frames from gro file 'Test system', 15 atoms.
 62: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
@@ -260748,7 +260658,7 @@
 62:          be removed in a future GROMACS version. Please, consider
 62:          using another file format for your input.
 62: 
-62: [       OK ] SelectModuleTest.HandlesSelectedPDBOutput (1 ms)
+62: [       OK ] SelectModuleTest.HandlesSelectedPDBOutput (2 ms)
 62: [ RUN      ] SelectModuleTest.NormalizesSizes
 62: Analyzed topology coordinates
 62: 
@@ -260788,7 +260698,7 @@
 62:          using another file format for your input.
 62: 
 62: [       OK ] SelectModuleTest.WritesResidueIndices (1 ms)
-62: [----------] 8 tests from SelectModuleTest (14 ms total)
+62: [----------] 8 tests from SelectModuleTest (15 ms total)
 62: 
 62: [----------] 10 tests from SurfaceAreaTest
 62: [ RUN      ] SurfaceAreaTest.ComputesSinglePoint
@@ -260811,7 +260721,7 @@
 62: [       OK ] SurfaceAreaTest.Computes100PointsWithRectangularPBC (1 ms)
 62: [ RUN      ] SurfaceAreaTest.Computes100PointsWithTriclinicPBC
 62: [       OK ] SurfaceAreaTest.Computes100PointsWithTriclinicPBC (1 ms)
-62: [----------] 10 tests from SurfaceAreaTest (7 ms total)
+62: [----------] 10 tests from SurfaceAreaTest (6 ms total)
 62: 
 62: [----------] 4 tests from TopologyInformation
 62: [ RUN      ] TopologyInformation.CantWorkWithoutReadingAFile
@@ -260873,7 +260783,7 @@
 62: There were 4 NOTEs
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/TopologyInformation_WorksWithTprFromPdbFile_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/TopologyInformation_WorksWithTprFromPdbFile_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-62: Setting the LD random seed to -736642852
+62: Setting the LD random seed to -141560995
 62: 
 62: Generated 330891 of the 330891 non-bonded parameter combinations
 62: 
@@ -260887,8 +260797,8 @@
 62: Analysing Protein...
 62: 
 62: This run will generate roughly 0 Mb of data
-62: [       OK ] TopologyInformation.WorksWithTprFromPdbFile (159 ms)
-62: [----------] 4 tests from TopologyInformation (161 ms total)
+62: [       OK ] TopologyInformation.WorksWithTprFromPdbFile (164 ms)
+62: [----------] 4 tests from TopologyInformation (166 ms total)
 62: 
 62: [----------] 4 tests from TrajectoryModuleTest
 62: [ RUN      ] TrajectoryModuleTest.BasicTest
@@ -260951,7 +260861,7 @@
 62:          using another file format for your input.
 62: 
 62: [       OK ] TrajectoryModuleTest.HandlesNoForces (1 ms)
-62: [----------] 4 tests from TrajectoryModuleTest (5 ms total)
+62: [----------] 4 tests from TrajectoryModuleTest (6 ms total)
 62: 
 62: [----------] 5 tests from UnionFinderTest
 62: [ RUN      ] UnionFinderTest.WorksEmpty
@@ -261004,7 +260914,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/0 (17 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/0 (13 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/1
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -261136,7 +261046,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/4 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/4 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/5
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -261235,7 +261145,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/7 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/7 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/8
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -261268,7 +261178,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/8 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/8 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/9
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -261334,7 +261244,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/10 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/10 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/11
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -261367,7 +261277,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/11 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/11 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/12
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -261400,7 +261310,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/12 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/12 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/13
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -261466,7 +261376,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/14 (12 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/14 (11 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/15
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -261631,7 +261541,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/19 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/19 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/20
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -261664,7 +261574,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/20 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/20 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/21
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -261697,7 +261607,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/21 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/21 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/22
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -261763,7 +261673,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/23 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/23 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/24
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -261829,7 +261739,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/25 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/25 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/26
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -261862,7 +261772,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/26 (12 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/26 (11 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/27
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -261928,7 +261838,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/28 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/28 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/29
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -261994,7 +261904,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/30 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/30 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/31
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -262027,7 +261937,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/31 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/31 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/32
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -262093,7 +262003,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/33 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/33 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/34
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -262126,7 +262036,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/34 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/34 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/35
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -262324,7 +262234,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/40 (12 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/40 (11 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/41
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -262357,7 +262267,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/41 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/41 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/42
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -262423,7 +262333,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/43 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/43 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/44
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -262456,7 +262366,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/44 (12 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/44 (11 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/45
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -262522,7 +262432,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/46 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/46 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/47
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -262555,7 +262465,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/47 (12 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/47 (11 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/48
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -262654,7 +262564,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/50 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/50 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/51
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -262720,7 +262630,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/52 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/52 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/53
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -262753,7 +262663,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/53 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/53 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/54
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -262786,7 +262696,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/54 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/54 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/55
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -262852,7 +262762,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/56 (12 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/56 (11 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/57
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -262885,7 +262795,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/57 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/57 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/58
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -262984,7 +262894,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/60 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/60 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/61
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -263050,7 +262960,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/62 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/62 (12 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/63
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 2092 atoms
 62: 
Last frame          0 time    0.000   
@@ -263116,7 +263026,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/64 (14 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/64 (11 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/65
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 62: 
Last frame          0 time    0.000   
@@ -263281,7 +263191,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/69 (10 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/69 (11 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/70
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 62: 
Last frame          0 time    0.000   
@@ -263380,7 +263290,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/72 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/72 (10 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/73
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 62: 
Last frame          0 time    0.000   
@@ -263413,7 +263323,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/73 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/73 (10 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/74
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 62: 
Last frame          0 time    0.000   
@@ -263479,7 +263389,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/75 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/75 (10 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/76
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 62: 
Last frame          0 time    0.000   
@@ -263710,7 +263620,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/82 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/82 (10 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/83
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 62: 
Last frame          0 time    0.000   
@@ -263941,7 +263851,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/89 (10 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/89 (11 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/90
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 62: 
Last frame          0 time    0.000   
@@ -264007,7 +263917,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/91 (10 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/91 (11 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/92
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 62: 
Last frame          0 time    0.000   
@@ -264040,7 +263950,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/92 (10 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/92 (11 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/93
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 62: 
Last frame          0 time    0.000   
@@ -264172,7 +264082,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/96 (10 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/96 (11 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/97
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 62: 
Last frame          0 time    0.000   
@@ -264238,7 +264148,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/98 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/98 (10 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/99
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 62: 
Last frame          0 time    0.000   
@@ -264403,7 +264313,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/103 (10 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/103 (11 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/104
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 62: 
Last frame          0 time    0.000   
@@ -264502,7 +264412,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/106 (10 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/106 (11 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/107
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 62: 
Last frame          0 time    0.000   
@@ -264634,7 +264544,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/110 (11 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/110 (10 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/111
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 62: 
Last frame          0 time    0.000   
@@ -264667,7 +264577,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/111 (10 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/111 (11 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/112
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 62: 
Last frame          0 time    0.000   
@@ -264733,7 +264643,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/113 (10 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/113 (11 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/114
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 1860 atoms
 62: 
Last frame          0 time    0.000   
@@ -265228,7 +265138,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/128 (13 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/128 (10 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/129
 62: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 62: 
Last frame          0 time  500.000   
@@ -265591,7 +265501,7 @@
 62: DOI: 10.1021/acs.jcim.3c01344
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/DsspModuleTest.Works/139 (8 ms)
+62: [       OK ] MoleculeTests/DsspModuleTest.Works/139 (9 ms)
 62: [ RUN      ] MoleculeTests/DsspModuleTest.Works/140
 62: Reading frames from pdb file
Reading frame       0 time  500.000    '', 1422 atoms
 62: 
Last frame          0 time  500.000   
@@ -267308,7 +267218,7 @@
 62: -------- -------- --- Thank You --- -------- --------
 62: 
 62: [       OK ] MoleculeTests/DsspModuleTest.Works/191 (8 ms)
-62: [----------] 192 tests from MoleculeTests/DsspModuleTest (2026 ms total)
+62: [----------] 192 tests from MoleculeTests/DsspModuleTest (2011 ms total)
 62: 
 62: [----------] 3 tests from GyrateTests/GyrateModuleTest
 62: [ RUN      ] GyrateTests/GyrateModuleTest.Works/0
@@ -267316,20 +267226,20 @@
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: 
Reading frame       0 time    0.000   
Reading frame       1 time   10.000   
Last frame          1 time   10.000   
 62: Analyzed 2 frames, last time 10.000
-62: [       OK ] GyrateTests/GyrateModuleTest.Works/0 (12 ms)
+62: [       OK ] GyrateTests/GyrateModuleTest.Works/0 (4 ms)
 62: [ RUN      ] GyrateTests/GyrateModuleTest.Works/1
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: 
Reading frame       0 time    0.000   
Reading frame       1 time   10.000   
Last frame          1 time   10.000   
 62: Analyzed 2 frames, last time 10.000
-62: [       OK ] GyrateTests/GyrateModuleTest.Works/1 (4 ms)
+62: [       OK ] GyrateTests/GyrateModuleTest.Works/1 (3 ms)
 62: [ RUN      ] GyrateTests/GyrateModuleTest.Works/2
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: 
Reading frame       0 time    0.000   
Reading frame       1 time   10.000   
Last frame          1 time   10.000   
 62: Analyzed 2 frames, last time 10.000
-62: [       OK ] GyrateTests/GyrateModuleTest.Works/2 (4 ms)
-62: [----------] 3 tests from GyrateTests/GyrateModuleTest (20 ms total)
+62: [       OK ] GyrateTests/GyrateModuleTest.Works/2 (3 ms)
+62: [----------] 3 tests from GyrateTests/GyrateModuleTest (11 ms total)
 62: 
 62: [----------] 96 tests from HBondTests/HbondModuleTest
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/0
@@ -267349,7 +267259,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/0 (10 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/0 (8 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/1
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267367,7 +267277,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/1 (10 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/1 (9 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/2
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267385,7 +267295,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/2 (9 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/2 (7 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/3
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267403,7 +267313,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/3 (9 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/3 (7 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/4
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267421,7 +267331,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/4 (10 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/4 (8 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/5
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267439,7 +267349,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/5 (10 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/5 (8 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/6
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267457,7 +267367,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/6 (9 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/6 (8 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/7
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267475,7 +267385,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/7 (8 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/7 (7 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/8
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267493,7 +267403,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/8 (11 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/8 (8 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/9
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267511,7 +267421,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/9 (10 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/9 (8 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/10
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267529,7 +267439,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/10 (9 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/10 (7 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/11
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267547,7 +267457,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/11 (9 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/11 (7 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/12
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267565,7 +267475,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/12 (10 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/12 (8 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/13
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267583,7 +267493,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/13 (9 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/13 (8 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/14
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267601,7 +267511,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/14 (9 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/14 (7 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/15
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267619,7 +267529,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/15 (8 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/15 (7 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/16
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267637,7 +267547,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/16 (10 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/16 (8 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/17
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267655,7 +267565,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/17 (11 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/17 (7 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/18
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267673,7 +267583,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/18 (8 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/18 (7 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/19
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267691,7 +267601,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/19 (9 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/19 (7 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/20
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267709,7 +267619,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/20 (9 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/20 (8 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/21
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267727,7 +267637,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/21 (10 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/21 (8 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/22
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267745,7 +267655,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/22 (9 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/22 (7 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/23
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267763,7 +267673,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/23 (9 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/23 (7 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/24
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267781,7 +267691,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/24 (10 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/24 (8 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/25
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267799,7 +267709,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/25 (10 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/25 (7 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/26
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267817,7 +267727,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/26 (9 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/26 (7 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/27
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267835,7 +267745,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/27 (9 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/27 (7 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/28
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267853,7 +267763,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/28 (11 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/28 (8 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/29
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267871,7 +267781,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/29 (10 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/29 (8 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/30
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267889,7 +267799,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/30 (8 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/30 (7 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/31
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267926,7 +267836,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/32 (107 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/32 (55 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/33
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267945,7 +267855,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/33 (111 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/33 (45 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/34
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267964,7 +267874,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/34 (84 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/34 (48 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/35
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -267983,7 +267893,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/35 (81 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/35 (50 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/36
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268002,7 +267912,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/36 (88 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/36 (47 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/37
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268021,7 +267931,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/37 (87 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/37 (46 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/38
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268040,7 +267950,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/38 (130 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/38 (50 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/39
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268059,7 +267969,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/39 (118 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/39 (56 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/40
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268078,7 +267988,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/40 (90 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/40 (49 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/41
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268097,7 +268007,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/41 (87 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/41 (56 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/42
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268116,7 +268026,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/42 (87 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/42 (47 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/43
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268135,7 +268045,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/43 (85 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/43 (45 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/44
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268154,7 +268064,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/44 (91 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/44 (55 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/45
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268173,7 +268083,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/45 (84 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/45 (57 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/46
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268192,7 +268102,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/46 (78 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/46 (51 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/47
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268211,7 +268121,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/47 (75 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/47 (48 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/48
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268231,7 +268141,7 @@
 62: -------- -------- --- Thank You --- -------- --------
 62: 
 62: Merging hbonds with Acceptor and Donor swapped
-62: [       OK ] HBondTests/HbondModuleTest.Works/48 (79 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/48 (52 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/49
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268251,7 +268161,7 @@
 62: -------- -------- --- Thank You --- -------- --------
 62: 
 62: Merging hbonds with Acceptor and Donor swapped
-62: [       OK ] HBondTests/HbondModuleTest.Works/49 (89 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/49 (47 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/50
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268271,7 +268181,7 @@
 62: -------- -------- --- Thank You --- -------- --------
 62: 
 62: Merging hbonds with Acceptor and Donor swapped
-62: [       OK ] HBondTests/HbondModuleTest.Works/50 (82 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/50 (47 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/51
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268291,7 +268201,7 @@
 62: -------- -------- --- Thank You --- -------- --------
 62: 
 62: Merging hbonds with Acceptor and Donor swapped
-62: [       OK ] HBondTests/HbondModuleTest.Works/51 (74 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/51 (53 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/52
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268311,7 +268221,7 @@
 62: -------- -------- --- Thank You --- -------- --------
 62: 
 62: Merging hbonds with Acceptor and Donor swapped
-62: [       OK ] HBondTests/HbondModuleTest.Works/52 (74 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/52 (48 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/53
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268331,7 +268241,7 @@
 62: -------- -------- --- Thank You --- -------- --------
 62: 
 62: Merging hbonds with Acceptor and Donor swapped
-62: [       OK ] HBondTests/HbondModuleTest.Works/53 (61 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/53 (44 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/54
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268351,7 +268261,7 @@
 62: -------- -------- --- Thank You --- -------- --------
 62: 
 62: Merging hbonds with Acceptor and Donor swapped
-62: [       OK ] HBondTests/HbondModuleTest.Works/54 (69 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/54 (52 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/55
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268371,7 +268281,7 @@
 62: -------- -------- --- Thank You --- -------- --------
 62: 
 62: Merging hbonds with Acceptor and Donor swapped
-62: [       OK ] HBondTests/HbondModuleTest.Works/55 (72 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/55 (51 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/56
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268391,7 +268301,7 @@
 62: -------- -------- --- Thank You --- -------- --------
 62: 
 62: Merging hbonds with Acceptor and Donor swapped
-62: [       OK ] HBondTests/HbondModuleTest.Works/56 (83 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/56 (51 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/57
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268411,7 +268321,7 @@
 62: -------- -------- --- Thank You --- -------- --------
 62: 
 62: Merging hbonds with Acceptor and Donor swapped
-62: [       OK ] HBondTests/HbondModuleTest.Works/57 (89 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/57 (50 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/58
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268431,7 +268341,7 @@
 62: -------- -------- --- Thank You --- -------- --------
 62: 
 62: Merging hbonds with Acceptor and Donor swapped
-62: [       OK ] HBondTests/HbondModuleTest.Works/58 (86 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/58 (49 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/59
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268451,7 +268361,7 @@
 62: -------- -------- --- Thank You --- -------- --------
 62: 
 62: Merging hbonds with Acceptor and Donor swapped
-62: [       OK ] HBondTests/HbondModuleTest.Works/59 (86 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/59 (54 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/60
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268471,7 +268381,7 @@
 62: -------- -------- --- Thank You --- -------- --------
 62: 
 62: Merging hbonds with Acceptor and Donor swapped
-62: [       OK ] HBondTests/HbondModuleTest.Works/60 (88 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/60 (46 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/61
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268491,7 +268401,7 @@
 62: -------- -------- --- Thank You --- -------- --------
 62: 
 62: Merging hbonds with Acceptor and Donor swapped
-62: [       OK ] HBondTests/HbondModuleTest.Works/61 (87 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/61 (49 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/62
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268511,7 +268421,7 @@
 62: -------- -------- --- Thank You --- -------- --------
 62: 
 62: Merging hbonds with Acceptor and Donor swapped
-62: [       OK ] HBondTests/HbondModuleTest.Works/62 (85 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/62 (47 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/63
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268531,7 +268441,7 @@
 62: -------- -------- --- Thank You --- -------- --------
 62: 
 62: Merging hbonds with Acceptor and Donor swapped
-62: [       OK ] HBondTests/HbondModuleTest.Works/63 (86 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/63 (51 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/64
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268549,7 +268459,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/64 (75 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/64 (43 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/65
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268567,7 +268477,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/65 (126 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/65 (45 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/66
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268585,7 +268495,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/66 (85 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/66 (47 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/67
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268603,7 +268513,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/67 (80 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/67 (42 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/68
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268621,7 +268531,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/68 (67 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/68 (47 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/69
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268639,7 +268549,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/69 (56 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/69 (44 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/70
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268657,7 +268567,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/70 (68 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/70 (47 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/71
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268675,7 +268585,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/71 (77 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/71 (49 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/72
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268693,7 +268603,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/72 (84 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/72 (50 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/73
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268711,7 +268621,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/73 (82 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/73 (46 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/74
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268729,7 +268639,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/74 (82 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/74 (49 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/75
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268747,7 +268657,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/75 (79 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/75 (47 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/76
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268765,7 +268675,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/76 (77 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/76 (45 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/77
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268783,7 +268693,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/77 (76 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/77 (105 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/78
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268801,7 +268711,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/78 (81 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/78 (62 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/79
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268819,7 +268729,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/79 (79 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/79 (50 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/80
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268837,7 +268747,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/80 (73 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/80 (43 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/81
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268855,7 +268765,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/81 (79 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/81 (47 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/82
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268873,7 +268783,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/82 (72 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/82 (42 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/83
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268891,7 +268801,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/83 (61 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/83 (42 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/84
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268909,7 +268819,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/84 (75 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/84 (47 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/85
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268927,7 +268837,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/85 (78 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/85 (47 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/86
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268945,7 +268855,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/86 (75 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/86 (48 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/87
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268963,7 +268873,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/87 (78 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/87 (44 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/88
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268981,7 +268891,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/88 (83 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/88 (49 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/89
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -268999,7 +268909,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/89 (115 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/89 (48 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/90
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -269017,7 +268927,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/90 (115 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/90 (46 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/91
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -269035,7 +268945,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/91 (93 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/91 (54 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/92
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -269053,7 +268963,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/92 (82 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/92 (48 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/93
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -269071,7 +268981,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/93 (84 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/93 (51 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/94
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -269089,7 +268999,7 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/94 (88 ms)
+62: [       OK ] HBondTests/HbondModuleTest.Works/94 (50 ms)
 62: [ RUN      ] HBondTests/HbondModuleTest.Works/95
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
 62: Reading file /build/reproducible-path/gromacs-2025.2/src/gromacs/trajectoryanalysis/tests/trpcage.tpr, VERSION 2023-rc1 (single precision)
@@ -269107,8 +269017,8 @@
 62: DOI: 10.1021/acs.jcim.3c02087
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] HBondTests/HbondModuleTest.Works/95 (83 ms)
-62: [----------] 96 tests from HBondTests/HbondModuleTest (6076 ms total)
+62: [       OK ] HBondTests/HbondModuleTest.Works/95 (45 ms)
+62: [----------] 96 tests from HBondTests/HbondModuleTest (3798 ms total)
 62: 
 62: [----------] 4 tests from MoleculeTests/ScatteringModule
 62: [ RUN      ] MoleculeTests/ScatteringModule.DirectMode/0
@@ -269134,7 +269044,7 @@
 62: DOI: 10.1134/S1027451013060372
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/ScatteringModule.DirectMode/0 (10 ms)
+62: [       OK ] MoleculeTests/ScatteringModule.DirectMode/0 (6 ms)
 62: [ RUN      ] MoleculeTests/ScatteringModule.DirectMode/1
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 156 atoms
 62: 
Last frame          0 time    0.000   
@@ -269166,7 +269076,7 @@
 62: DOI: 10.1107/S0567739468000550
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/ScatteringModule.DirectMode/1 (159 ms)
+62: [       OK ] MoleculeTests/ScatteringModule.DirectMode/1 (163 ms)
 62: [ RUN      ] MoleculeTests/ScatteringModule.MCMode/0
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 156 atoms
 62: 
Last frame          0 time    0.000   
@@ -269190,7 +269100,7 @@
 62: DOI: 10.1134/S1027451013060372
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/ScatteringModule.MCMode/0 (9 ms)
+62: [       OK ] MoleculeTests/ScatteringModule.MCMode/0 (6 ms)
 62: [ RUN      ] MoleculeTests/ScatteringModule.MCMode/1
 62: Reading frames from pdb file
Reading frame       0 time    0.000    '', 156 atoms
 62: 
Last frame          0 time    0.000   
@@ -269222,13 +269132,13 @@
 62: DOI: 10.1107/S0567739468000550
 62: -------- -------- --- Thank You --- -------- --------
 62: 
-62: [       OK ] MoleculeTests/ScatteringModule.MCMode/1 (40 ms)
-62: [----------] 4 tests from MoleculeTests/ScatteringModule (220 ms total)
+62: [       OK ] MoleculeTests/ScatteringModule.MCMode/1 (38 ms)
+62: [----------] 4 tests from MoleculeTests/ScatteringModule (216 ms total)
 62: 
 62: [----------] Global test environment tear-down
-62: [==========] 393 tests from 21 test suites ran. (8948 ms total)
+62: [==========] 393 tests from 21 test suites ran. (6638 ms total)
 62: [  PASSED  ] 393 tests.
-62/96 Test #62: TrajectoryAnalysisUnitTests ..................   Passed    9.05 sec
+62/96 Test #62: TrajectoryAnalysisUnitTests ..................   Passed    6.74 sec
 test 63
       Start 63: EnergyAnalysisUnitTests
 
@@ -269253,8 +269163,8 @@
 63: 
 63: 
 63: Wrote 8 lambda values with 101 samples as 808 dH data blocks to /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/energyanalysis/tests/Testing/Temporary/DhdlTest_ExtractDhdl_dhdl.xvg
-63: [       OK ] DhdlTest.ExtractDhdl (18 ms)
-63: [----------] 1 test from DhdlTest (18 ms total)
+63: [       OK ] DhdlTest.ExtractDhdl (8 ms)
+63: [----------] 1 test from DhdlTest (8 ms total)
 63: 
 63: [----------] 1 test from OriresTest
 63: [ RUN      ] OriresTest.ExtractOrires
@@ -269265,8 +269175,8 @@
 63: End your selection with 0
 63: Selecting all 7 orientation restraints
 63: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.002         
Reading energy frame      2 time    0.004         
Reading energy frame      3 time    0.006         
Reading energy frame      4 time    0.008         
Reading energy frame      5 time    0.010         
Reading energy frame      6 time    0.012         
Reading energy frame      7 time    0.014         
Reading energy frame      8 time    0.016         
Reading energy frame      9 time    0.018         
Reading energy frame     10 time    0.020         
Last energy frame read 10 time    0.020         
-63: [       OK ] OriresTest.ExtractOrires (24 ms)
-63: [----------] 1 test from OriresTest (24 ms total)
+63: [       OK ] OriresTest.ExtractOrires (9 ms)
+63: [----------] 1 test from OriresTest (9 ms total)
 63: 
 63: [----------] 5 tests from EnergyTest
 63: [ RUN      ] EnergyTest.ExtractEnergy
@@ -269297,7 +269207,7 @@
 63: Potential                  -34142.2         39    228.993   -62.8906  (kJ/mol)
 63: Kinetic En.                 6132.38       0.42    119.428  -0.266996  (kJ/mol)
 63: Total Energy               -28009.8         39    258.637   -63.1577  (kJ/mol)
-63: [       OK ] EnergyTest.ExtractEnergy (4 ms)
+63: [       OK ] EnergyTest.ExtractEnergy (2 ms)
 63: [ RUN      ] EnergyTest.ExtractEnergyByNumber
 63: Opened /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file
 63: 
@@ -269326,7 +269236,7 @@
 63: Coul. recip.                302.771        2.8    17.5152    12.5403  (kJ/mol)
 63: Kinetic En.                 6132.38       0.42    119.428  -0.266996  (kJ/mol)
 63: Pres. DC                    -268.49          3    8.52175    13.2804  (bar)
-63: [       OK ] EnergyTest.ExtractEnergyByNumber (2 ms)
+63: [       OK ] EnergyTest.ExtractEnergyByNumber (1 ms)
 63: [ RUN      ] EnergyTest.ExtractEnergyMixed
 63: Opened /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file
 63: 
@@ -269356,7 +269266,7 @@
 63: Pressure                    5.34371        4.1    605.307   -4.88771  (bar)
 63: Box-Z                       2.92457     0.0054  0.0151558  0.0234974  (nm)
 63: Volume                      25.0162       0.14   0.386769   0.598615  (nm^3)
-63: [       OK ] EnergyTest.ExtractEnergyMixed (2 ms)
+63: [       OK ] EnergyTest.ExtractEnergyMixed (1 ms)
 63: [ RUN      ] EnergyTest.ExtractEnergyWithNumberInName
 63: Opened /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/tests/ener_numberInName.edr as single precision energy file
 63: 
@@ -269412,7 +269322,7 @@
 63: LJ (SR)                    -14.1095         --   0.384124   0.932214  (kJ/mol)
 63: 1/Viscosity                 57767.2         --    10666.2     -25998  (m s/kg)
 63: [       OK ] EnergyTest.ExtractEnergyWithNumberInNameAndAlsoByNumber (0 ms)
-63: [----------] 5 tests from EnergyTest (10 ms total)
+63: [----------] 5 tests from EnergyTest (5 ms total)
 63: 
 63: [----------] 3 tests from ViscosityTest
 63: [ RUN      ] ViscosityTest.EinsteinViscosity
@@ -269438,7 +269348,7 @@
 63: Pressure                    5.34371        4.1    605.307   -4.88771  (bar)
 63: 
 63: Computing shear viscosity using the Einstein relation with 6 start points separated by 0.2 ps
-63: [       OK ] ViscosityTest.EinsteinViscosity (22 ms)
+63: [       OK ] ViscosityTest.EinsteinViscosity (29 ms)
 63: [ RUN      ] ViscosityTest.EinsteinViscosityIntegral
 63: Opened /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file
 63: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.200         
Reading energy frame      2 time    0.400         
Reading energy frame      3 time    0.600         
Reading energy frame      4 time    0.800         
Reading energy frame      5 time    1.000         
Reading energy frame      6 time    1.200         
Reading energy frame      7 time    1.400         
Reading energy frame      8 time    1.600         
Reading energy frame      9 time    1.800         
Reading energy frame     10 time    2.000         
Reading energy frame     11 time    2.200         
Reading energy frame     12 time    2.400         
Reading energy frame     13 time    2.600         
Reading energy frame     14 time    2.800         
Reading energy frame     15 time    3.000         
Reading energy frame     16 time    3.200         
Reading energy frame     17 time    3.400         
Reading energy frame     18 time    3.600         
Reading energy frame     19 time    3.800         
Reading energy frame     20 time    4.000         
Reading energy frame     30 time    6.000         
Reading energy frame     40 time    8.000         
Reading energy frame     50 time   10.000         
Last energy frame read 50 time   10.000         
@@ -269462,7 +269372,7 @@
 63: Pressure                    5.34371        4.1    605.307   -4.88771  (bar)
 63: 
 63: Computing shear viscosity using the Einstein relation with 6 start points separated by 0.2 ps
-63: [       OK ] ViscosityTest.EinsteinViscosityIntegral (21 ms)
+63: [       OK ] ViscosityTest.EinsteinViscosityIntegral (22 ms)
 63: [ RUN      ] ViscosityTest.EinsteinViscosityDefaultArguments
 63: Opened /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file
 63: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.200         
Reading energy frame      2 time    0.400         
Reading energy frame      3 time    0.600         
Reading energy frame      4 time    0.800         
Reading energy frame      5 time    1.000         
Reading energy frame      6 time    1.200         
Reading energy frame      7 time    1.400         
Reading energy frame      8 time    1.600         
Reading energy frame      9 time    1.800         
Reading energy frame     10 time    2.000         
Reading energy frame     11 time    2.200         
Reading energy frame     12 time    2.400         
Reading energy frame     13 time    2.600         
Reading energy frame     14 time    2.800         
Reading energy frame     15 time    3.000         
Reading energy frame     16 time    3.200         
Reading energy frame     17 time    3.400         
Reading energy frame     18 time    3.600         
Reading energy frame     19 time    3.800         
Reading energy frame     20 time    4.000         
Reading energy frame     30 time    6.000         
Reading energy frame     40 time    8.000         
Reading energy frame     50 time   10.000         
Last energy frame read 50 time   10.000         
@@ -269487,12 +269397,12 @@
 63: 
 63: Computing shear viscosity using the Einstein relation with 6 start points separated by 0.2 ps
 63: [       OK ] ViscosityTest.EinsteinViscosityDefaultArguments (21 ms)
-63: [----------] 3 tests from ViscosityTest (65 ms total)
+63: [----------] 3 tests from ViscosityTest (73 ms total)
 63: 
 63: [----------] Global test environment tear-down
-63: [==========] 12 tests from 5 test suites ran. (119 ms total)
+63: [==========] 12 tests from 5 test suites ran. (98 ms total)
 63: [  PASSED  ] 12 tests.
-63/96 Test #63: EnergyAnalysisUnitTests ......................   Passed    0.21 sec
+63/96 Test #63: EnergyAnalysisUnitTests ......................   Passed    0.17 sec
 test 64
       Start 64: ToolUnitTests
 
@@ -269532,7 +269442,7 @@
 64: 
 64: 
 64: There were 4 NOTEs
-64: Setting the LD random seed to -59796417
+64: Setting the LD random seed to -2018003168
 64: 
 64: Generated 330891 of the 330891 non-bonded parameter combinations
 64: 
@@ -269562,7 +269472,7 @@
 64:    comm-mode                      = Linear
 64:    nstcomm                        = 100
 64:    bd-fric                        = 0
-64:    ld-seed                        = -59796417
+64:    ld-seed                        = -2018003168
 64:    emtol                          = 10
 64:    emstep                         = 0.01
 64:    niter                          = 20
@@ -272511,7 +272421,7 @@
 64:  'ri': residue index
 64: 
 64: > 
-64: [       OK ] GmxMakeNdx.WritesDefaultProteinIndexGroups (3 ms)
+64: [       OK ] GmxMakeNdx.WritesDefaultProteinIndexGroups (1 ms)
 64: [ RUN      ] GmxMakeNdx.HandlesNoStructureInput
 64: Going to read 1 old index file(s)
 64: Deducing 22 atoms in the system from indices in the index file
@@ -272636,7 +272546,7 @@
 64: Splitting group 1 'Water' into residues
 64: 
 64: > 
-64: [       OK ] GmxMakeNdx.Splitres (1 ms)
+64: [       OK ] GmxMakeNdx.Splitres (0 ms)
 64: [ RUN      ] GmxMakeNdx.Splitat
 64: 
 64: Reading structure file
@@ -272660,7 +272570,7 @@
 64: 
 64: > 
 64: [       OK ] GmxMakeNdx.Splitat (0 ms)
-64: [----------] 7 tests from GmxMakeNdx (8 ms total)
+64: [----------] 7 tests from GmxMakeNdx (5 ms total)
 64: 
 64: [----------] 4 tests from ReportMethodsTest
 64: 
@@ -272693,7 +272603,7 @@
 64: 
 64: 
 64: There were 4 NOTEs
-64: Setting the LD random seed to -335939596
+64: Setting the LD random seed to -604505906
 64: 
 64: Generated 330891 of the 330891 non-bonded parameter combinations
 64: 
@@ -272766,7 +272676,7 @@
 64: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_ExtendRuntimeExtensionTest_extended.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 64: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_ExtendRuntimeExtensionTest_extended.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 64: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_ExtendRuntimeExtensionTest_extended_again.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-64: Setting the LD random seed to -180415811
+64: Setting the LD random seed to -302534659
 64: 
 64: Generated 330891 of the 330891 non-bonded parameter combinations
 64: 
@@ -272816,7 +272726,7 @@
 64:   Run end step                                  200000     
 64:   Run end time                                     200 ps  
 64: 
-64: [       OK ] ConvertTprTest.ExtendRuntimeExtensionTest (153 ms)
+64: [       OK ] ConvertTprTest.ExtendRuntimeExtensionTest (158 ms)
 64: [ RUN      ] ConvertTprTest.UntilRuntimeExtensionTest
 64: 
 64: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_UntilRuntimeExtensionTest_lysozyme.mdp]:
@@ -272851,7 +272761,7 @@
 64: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_UntilRuntimeExtensionTest_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 64: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_UntilRuntimeExtensionTest_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 64: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_UntilRuntimeExtensionTest_extended.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-64: Setting the LD random seed to -21115423
+64: Setting the LD random seed to -33558681
 64: 
 64: Generated 330891 of the 330891 non-bonded parameter combinations
 64: 
@@ -272883,7 +272793,7 @@
 64:   Run end step                                  100000     
 64:   Run end time                                     100 ps  
 64: 
-64: [       OK ] ConvertTprTest.UntilRuntimeExtensionTest (153 ms)
+64: [       OK ] ConvertTprTest.UntilRuntimeExtensionTest (157 ms)
 64: [ RUN      ] ConvertTprTest.nstepRuntimeExtensionTest
 64: 
 64: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_nstepRuntimeExtensionTest_lysozyme.mdp]:
@@ -272919,7 +272829,7 @@
 64: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_nstepRuntimeExtensionTest_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 64: Setting nsteps to 102
 64: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_nstepRuntimeExtensionTest_extended.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-64: Setting the LD random seed to -136397058
+64: Setting the LD random seed to 2111438267
 64: 
 64: Generated 330891 of the 330891 non-bonded parameter combinations
 64: 
@@ -272950,7 +272860,7 @@
 64:   Run end step                                     102     
 64:   Run end time                                   0.102 ps  
 64: 
-64: [       OK ] ConvertTprTest.nstepRuntimeExtensionTest (151 ms)
+64: [       OK ] ConvertTprTest.nstepRuntimeExtensionTest (157 ms)
 64: [ RUN      ] ConvertTprTest.generateVelocitiesTest
 64: 
 64: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_generateVelocitiesTest_lysozyme.mdp]:
@@ -272985,7 +272895,7 @@
 64: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_generateVelocitiesTest_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 64: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_generateVelocitiesTest_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 64: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_generateVelocitiesTest_new_velocities.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-64: Setting the LD random seed to 1933426103
+64: Setting the LD random seed to -138413061
 64: 
 64: Generated 330891 of the 330891 non-bonded parameter combinations
 64: 
@@ -272999,8 +272909,8 @@
 64: Analysing Protein...
 64: 
 64: This run will generate roughly 0 Mb of data
-64: [       OK ] ConvertTprTest.generateVelocitiesTest (154 ms)
-64: [----------] 4 tests from ConvertTprTest (612 ms total)
+64: [       OK ] ConvertTprTest.generateVelocitiesTest (159 ms)
+64: [----------] 4 tests from ConvertTprTest (633 ms total)
 64: 
 64: [----------] 1 test from ConvertTprNoVelocityTest
 64: [ RUN      ] ConvertTprNoVelocityTest.refuseToGenerateVelocitiesWhenTprDidNotHaveVelocitiesInitiallyTest
@@ -273038,7 +272948,7 @@
 64: 
 64: There were 4 NOTEs
 64: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests/Testing/Temporary/ConvertTprNoVelocityTest_refuseToGenerateVelocitiesWhenTprDidNotHaveVelocitiesInitiallyTest_lysozyme.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-64: Setting the LD random seed to -173015339
+64: Setting the LD random seed to 1203501990
 64: 
 64: Generated 330891 of the 330891 non-bonded parameter combinations
 64: 
@@ -273050,8 +272960,8 @@
 64: Analysing Protein...
 64: 
 64: This run will generate roughly 0 Mb of data
-64: [       OK ] ConvertTprNoVelocityTest.refuseToGenerateVelocitiesWhenTprDidNotHaveVelocitiesInitiallyTest (151 ms)
-64: [----------] 1 test from ConvertTprNoVelocityTest (151 ms total)
+64: [       OK ] ConvertTprNoVelocityTest.refuseToGenerateVelocitiesWhenTprDidNotHaveVelocitiesInitiallyTest (158 ms)
+64: [----------] 1 test from ConvertTprNoVelocityTest (158 ms total)
 64: 
 64: [----------] 12 tests from Works/TrjconvWithDifferentInputFormats
 64: [ RUN      ] Works/TrjconvWithDifferentInputFormats.WithIndexGroupSubset/file_spc2_traj_trr
@@ -273176,7 +273086,7 @@
 64: Note that major changes are planned in future for trjconv, to improve usability and utility.
 64: Select group for output
 64: Selected 2: 'SecondWaterMolecule'
-64: [       OK ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_tng (0 ms)
+64: [       OK ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_tng (1 ms)
 64: [ RUN      ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_xtc
 64: Will write trr: Trajectory in portable xdr format
 64: Group     0 (         System) has     6 elements
@@ -273190,7 +273100,7 @@
 64: Note that major changes are planned in future for trjconv, to improve usability and utility.
 64: Select group for output
 64: Selected 2: 'SecondWaterMolecule'
-64: [       OK ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_xtc (0 ms)
+64: [       OK ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_xtc (1 ms)
 64: [ RUN      ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_gro
 64: Will write trr: Trajectory in portable xdr format
 64: Group     0 (         System) has     6 elements
@@ -273207,7 +273117,7 @@
 64: Note that major changes are planned in future for trjconv, to improve usability and utility.
 64: Select group for output
 64: Selected 2: 'SecondWaterMolecule'
-64: [       OK ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_gro (0 ms)
+64: [       OK ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_gro (1 ms)
 64: [ RUN      ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_pdb
 64: Will write trr: Trajectory in portable xdr format
 64: Group     0 (         System) has     6 elements
@@ -273224,7 +273134,7 @@
 64: Note that major changes are planned in future for trjconv, to improve usability and utility.
 64: Select group for output
 64: Selected 2: 'SecondWaterMolecule'
-64: [       OK ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_pdb (0 ms)
+64: [       OK ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_pdb (1 ms)
 64: [ RUN      ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_g96
 64: Will write trr: Trajectory in portable xdr format
 64: Group     0 (         System) has     6 elements
@@ -273239,7 +273149,7 @@
 64: Select group for output
 64: Selected 2: 'SecondWaterMolecule'
 64: [       OK ] Works/TrjconvWithDifferentInputFormats.WithoutTopologyFile/file_spc2_traj_g96 (0 ms)
-64: [----------] 12 tests from Works/TrjconvWithDifferentInputFormats (4 ms total)
+64: [----------] 12 tests from Works/TrjconvWithDifferentInputFormats (9 ms total)
 64: 
 64: [----------] 30 tests from Works/TrjconvDumpTest
 64: [ RUN      ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_trr_dump_time__1_00
@@ -273306,7 +273216,7 @@
 64: 
 64: 
 64: Note that major changes are planned in future for trjconv, to improve usability and utility.
-64: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_tng_dump_time__1_00 (0 ms)
+64: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_tng_dump_time__1_00 (1 ms)
 64: [ RUN      ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_tng_dump_time_0_00
 64: Will write trr: Trajectory in portable xdr format
 64: 
Reading frame       0 time    0.000   
Reading frame       0 time    0.000   
@@ -273318,7 +273228,7 @@
 64: 
 64: 
 64: Note that major changes are planned in future for trjconv, to improve usability and utility.
-64: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_tng_dump_time_0_00 (0 ms)
+64: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_tng_dump_time_0_00 (1 ms)
 64: [ RUN      ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_tng_dump_time_0_30
 64: Will write trr: Trajectory in portable xdr format
 64: 
Reading frame       0 time    0.000   
Reading frame       0 time    0.000   
@@ -273331,7 +273241,7 @@
 64: 
 64: 
 64: Note that major changes are planned in future for trjconv, to improve usability and utility.
-64: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_tng_dump_time_0_30 (0 ms)
+64: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_tng_dump_time_0_30 (1 ms)
 64: [ RUN      ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_tng_dump_time_1_00
 64: Will write trr: Trajectory in portable xdr format
 64: 
Reading frame       0 time    0.000   
Reading frame       0 time    0.000   
@@ -273344,7 +273254,7 @@
 64: 
 64: 
 64: Note that major changes are planned in future for trjconv, to improve usability and utility.
-64: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_tng_dump_time_1_00 (0 ms)
+64: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_tng_dump_time_1_00 (1 ms)
 64: [ RUN      ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_tng_dump_time_999999_00
 64: Will write trr: Trajectory in portable xdr format
 64: 
Reading frame       0 time    0.000   
Reading frame       0 time    0.000   
@@ -273357,7 +273267,7 @@
 64: 
 64: 
 64: Note that major changes are planned in future for trjconv, to improve usability and utility.
-64: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_tng_dump_time_999999_00 (0 ms)
+64: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_tng_dump_time_999999_00 (1 ms)
 64: [ RUN      ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_xtc_dump_time__1_00
 64: Will write trr: Trajectory in portable xdr format
 64: 
Reading frame       0 time    0.000   
Reading frame       0 time    0.000   
Reading frame       1 time    1.000   
@@ -273605,12 +273515,12 @@
 64: 
 64: Note that major changes are planned in future for trjconv, to improve usability and utility.
 64: [       OK ] Works/TrjconvDumpTest.DumpsFrame/file_spc2_traj_g96_dump_time_999999_00 (0 ms)
-64: [----------] 30 tests from Works/TrjconvDumpTest (9 ms total)
+64: [----------] 30 tests from Works/TrjconvDumpTest (16 ms total)
 64: 
 64: [----------] Global test environment tear-down
-64: [==========] 63 tests from 8 test suites ran. (1111 ms total)
+64: [==========] 63 tests from 8 test suites ran. (1160 ms total)
 64: [  PASSED  ] 63 tests.
-64/96 Test #64: ToolUnitTests ................................   Passed    1.20 sec
+64/96 Test #64: ToolUnitTests ................................   Passed    1.25 sec
 test 65
       Start 65: ToolWithLeaksUnitTests
 
@@ -273671,7 +273581,7 @@
 65: Reduced ilist     LJ14 from    399 to    107 entries
 65: Reduced block    excls from    156 to     75 index-,   1828 to    635 a-entries
 65: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests/Testing/Temporary/ConvertTprTest_selectIndexTest_extended.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-65: Setting the LD random seed to -1074812421
+65: Setting the LD random seed to 1593173375
 65: 
 65: Generated 330891 of the 330891 non-bonded parameter combinations
 65: 
@@ -273686,8 +273596,8 @@
 65: 
 65: This run will generate roughly 0 Mb of data
 65: Selected 2: 'Protein-H'
-65: [       OK ] ConvertTprTest.selectIndexTest (186 ms)
-65: [----------] 1 test from ConvertTprTest (186 ms total)
+65: [       OK ] ConvertTprTest.selectIndexTest (163 ms)
+65: [----------] 1 test from ConvertTprTest (163 ms total)
 65: 
 65: [----------] 1 test from ConvertTprNoVelocityTest
 65: [ RUN      ] ConvertTprNoVelocityTest.selectIndexTestWithoutVelocity
@@ -273744,7 +273654,7 @@
 65: Reduced ilist     LJ14 from    399 to    107 entries
 65: Reduced block    excls from    156 to     75 index-,   1828 to    635 a-entries
 65: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/tools/tests/Testing/Temporary/ConvertTprNoVelocityTest_selectIndexTestWithoutVelocity_extended.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-65: Setting the LD random seed to 1740567415
+65: Setting the LD random seed to 2147007981
 65: 
 65: Generated 330891 of the 330891 non-bonded parameter combinations
 65: 
@@ -273757,13 +273667,13 @@
 65: 
 65: This run will generate roughly 0 Mb of data
 65: Selected 2: 'Protein-H'
-65: [       OK ] ConvertTprNoVelocityTest.selectIndexTestWithoutVelocity (154 ms)
-65: [----------] 1 test from ConvertTprNoVelocityTest (154 ms total)
+65: [       OK ] ConvertTprNoVelocityTest.selectIndexTestWithoutVelocity (149 ms)
+65: [----------] 1 test from ConvertTprNoVelocityTest (149 ms total)
 65: 
 65: [----------] Global test environment tear-down
-65: [==========] 2 tests from 2 test suites ran. (340 ms total)
+65: [==========] 2 tests from 2 test suites ran. (313 ms total)
 65: [  PASSED  ] 2 tests.
-65/96 Test #65: ToolWithLeaksUnitTests .......................   Passed    0.43 sec
+65/96 Test #65: ToolWithLeaksUnitTests .......................   Passed    0.38 sec
 test 66
       Start 66: FileIOTests
 
@@ -273790,10 +273700,10 @@
 66: 
 66: [----------] 2 tests from FileMD5Test
 66: [ RUN      ] FileMD5Test.CanComputeMD5
-66: [       OK ] FileMD5Test.CanComputeMD5 (1 ms)
+66: [       OK ] FileMD5Test.CanComputeMD5 (0 ms)
 66: [ RUN      ] FileMD5Test.ReturnsErrorIfFileModeIsWrong
 66: [       OK ] FileMD5Test.ReturnsErrorIfFileModeIsWrong (0 ms)
-66: [----------] 2 tests from FileMD5Test (1 ms total)
+66: [----------] 2 tests from FileMD5Test (0 ms total)
 66: 
 66: [----------] 4 tests from FileTypeTest
 66: [ RUN      ] FileTypeTest.CorrectValueForEmptyString
@@ -273827,8 +273737,8 @@
 66: Converted a 4x3 matrix with 4 levels to reals
 66: [       OK ] MatioTest.CanConvertToNewRealMatrix (0 ms)
 66: [ RUN      ] MatioTest.CanReadSingleMatrixAfterWriting
-66:  33% 66%100% 33% 66%100%[       OK ] MatioTest.CanReadSingleMatrixAfterWriting (3 ms)
-66: [----------] 4 tests from MatioTest (4 ms total)
+66:  33% 66%100% 33% 66%100%[       OK ] MatioTest.CanReadSingleMatrixAfterWriting (1 ms)
+66: [----------] 4 tests from MatioTest (1 ms total)
 66: 
 66: [----------] 3 tests from MrcSerializer
 66: [ RUN      ] MrcSerializer.DefaultHeaderValuesAreSet
@@ -273847,8 +273757,8 @@
 66: [ RUN      ] MrcDensityMap.ReadsCoordinateTransformationFromFile
 66: [       OK ] MrcDensityMap.ReadsCoordinateTransformationFromFile (0 ms)
 66: [ RUN      ] MrcDensityMap.ReadsDensityDataFromFile
-66: [       OK ] MrcDensityMap.ReadsDensityDataFromFile (2 ms)
-66: [----------] 4 tests from MrcDensityMap (2 ms total)
+66: [       OK ] MrcDensityMap.ReadsDensityDataFromFile (1 ms)
+66: [----------] 4 tests from MrcDensityMap (1 ms total)
 66: 
 66: [----------] 8 tests from MrcDensityMapHeaderTest
 66: [ RUN      ] MrcDensityMapHeaderTest.DataSizeIsZeroForDefaultHeader
@@ -273961,7 +273871,7 @@
 66: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/2 (0 ms)
 66: [ RUN      ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3
 66: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3 (0 ms)
-66: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest (1 ms total)
+66: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest (0 ms total)
 66: 
 66: [----------] 360 tests from FileTypeMatch/FileTypeTest
 66: [ RUN      ] FileTypeMatch/FileTypeTest.CorrectValueForNullptr/0
@@ -274684,7 +274594,7 @@
 66: [       OK ] FileTypeMatch/FileTypeTest.CorrectValueForExtension/178 (0 ms)
 66: [ RUN      ] FileTypeMatch/FileTypeTest.CorrectValueForExtension/179
 66: [       OK ] FileTypeMatch/FileTypeTest.CorrectValueForExtension/179 (0 ms)
-66: [----------] 360 tests from FileTypeMatch/FileTypeTest (2 ms total)
+66: [----------] 360 tests from FileTypeMatch/FileTypeTest (1 ms total)
 66: 
 66: [----------] 4 tests from XvgReadTimeSeries/XvgioTest
 66: [ RUN      ] XvgReadTimeSeries/XvgioTest.readXvgTimeSeriesWorks/0
@@ -274695,12 +274605,12 @@
 66: [       OK ] XvgReadTimeSeries/XvgioTest.readXvgTimeSeriesWorks/2 (0 ms)
 66: [ RUN      ] XvgReadTimeSeries/XvgioTest.readXvgTimeSeriesWorks/3
 66: [       OK ] XvgReadTimeSeries/XvgioTest.readXvgTimeSeriesWorks/3 (0 ms)
-66: [----------] 4 tests from XvgReadTimeSeries/XvgioTest (1 ms total)
+66: [----------] 4 tests from XvgReadTimeSeries/XvgioTest (0 ms total)
 66: 
 66: [----------] Global test environment tear-down
-66: [==========] 421 tests from 17 test suites ran. (17 ms total)
+66: [==========] 421 tests from 17 test suites ran. (7 ms total)
 66: [  PASSED  ] 421 tests.
-66/96 Test #66: FileIOTests ..................................   Passed    0.12 sec
+66/96 Test #66: FileIOTests ..................................   Passed    0.09 sec
 test 67
       Start 67: SelectionUnitTests
 
@@ -274783,9 +274693,9 @@
 67: 
 67: [----------] 15 tests from NeighborhoodSearchTest
 67: [ RUN      ] NeighborhoodSearchTest.SimpleSearch
-67: [       OK ] NeighborhoodSearchTest.SimpleSearch (10 ms)
+67: [       OK ] NeighborhoodSearchTest.SimpleSearch (9 ms)
 67: [ RUN      ] NeighborhoodSearchTest.SimpleSearchXY
-67: [       OK ] NeighborhoodSearchTest.SimpleSearchXY (10 ms)
+67: [       OK ] NeighborhoodSearchTest.SimpleSearchXY (9 ms)
 67: [ RUN      ] NeighborhoodSearchTest.GridSearchBox
 67: [       OK ] NeighborhoodSearchTest.GridSearchBox (1 ms)
 67: [ RUN      ] NeighborhoodSearchTest.GridSearchTriclinic
@@ -274799,7 +274709,7 @@
 67: [ RUN      ] NeighborhoodSearchTest.SimpleSelfPairsSearch
 67: [       OK ] NeighborhoodSearchTest.SimpleSelfPairsSearch (0 ms)
 67: [ RUN      ] NeighborhoodSearchTest.GridSelfPairsSearch
-67: [       OK ] NeighborhoodSearchTest.GridSelfPairsSearch (26 ms)
+67: [       OK ] NeighborhoodSearchTest.GridSelfPairsSearch (23 ms)
 67: [ RUN      ] NeighborhoodSearchTest.HandlesConcurrentSearches
 67: [       OK ] NeighborhoodSearchTest.HandlesConcurrentSearches (0 ms)
 67: [ RUN      ] NeighborhoodSearchTest.HandlesNoPBC
@@ -274809,10 +274719,10 @@
 67: [ RUN      ] NeighborhoodSearchTest.HandlesSkippingPairs
 67: [       OK ] NeighborhoodSearchTest.HandlesSkippingPairs (0 ms)
 67: [ RUN      ] NeighborhoodSearchTest.SimpleSearchExclusions
-67: [       OK ] NeighborhoodSearchTest.SimpleSearchExclusions (2 ms)
+67: [       OK ] NeighborhoodSearchTest.SimpleSearchExclusions (1 ms)
 67: [ RUN      ] NeighborhoodSearchTest.GridSearchExclusions
 67: [       OK ] NeighborhoodSearchTest.GridSearchExclusions (0 ms)
-67: [----------] 15 tests from NeighborhoodSearchTest (63 ms total)
+67: [----------] 15 tests from NeighborhoodSearchTest (57 ms total)
 67: 
 67: [----------] 13 tests from PositionCalculationTest
 67: [ RUN      ] PositionCalculationTest.ComputesAtomPositions
@@ -274910,7 +274820,7 @@
 67: [       OK ] SelectionCollectionTest.CanCopyEmptyCollection (0 ms)
 67: [ RUN      ] SelectionCollectionTest.CopiedSelectionListsAreHandledSeparately
 67: [       OK ] SelectionCollectionTest.CopiedSelectionListsAreHandledSeparately (0 ms)
-67: [----------] 33 tests from SelectionCollectionTest (8 ms total)
+67: [----------] 33 tests from SelectionCollectionTest (6 ms total)
 67: 
 67: [----------] 14 tests from SelectionCollectionInteractiveTest
 67: [ RUN      ] SelectionCollectionInteractiveTest.HandlesBasicInput
@@ -274991,13 +274901,13 @@
 67: [ RUN      ] SelectionCollectionDataTest.HandlesWithinKeyword
 67: [       OK ] SelectionCollectionDataTest.HandlesWithinKeyword (0 ms)
 67: [ RUN      ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword
-67: [       OK ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword (3 ms)
+67: [       OK ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword (2 ms)
 67: [ RUN      ] SelectionCollectionDataTest.HandlesPermuteModifier
-67: [       OK ] SelectionCollectionDataTest.HandlesPermuteModifier (2 ms)
+67: [       OK ] SelectionCollectionDataTest.HandlesPermuteModifier (1 ms)
 67: [ RUN      ] SelectionCollectionDataTest.HandlesPlusModifier
-67: [       OK ] SelectionCollectionDataTest.HandlesPlusModifier (1 ms)
+67: [       OK ] SelectionCollectionDataTest.HandlesPlusModifier (2 ms)
 67: [ RUN      ] SelectionCollectionDataTest.HandlesMergeModifier
-67: [       OK ] SelectionCollectionDataTest.HandlesMergeModifier (2 ms)
+67: [       OK ] SelectionCollectionDataTest.HandlesMergeModifier (1 ms)
 67: [ RUN      ] SelectionCollectionDataTest.ComputesMassesAndCharges
 67: [       OK ] SelectionCollectionDataTest.ComputesMassesAndCharges (1 ms)
 67: [ RUN      ] SelectionCollectionDataTest.ComputesMassesAndChargesWithoutTopology
@@ -275047,15 +274957,15 @@
 67: [ RUN      ] SelectionCollectionDataTest.HandlesKeywordOfPositionsInArithmetic
 67: [       OK ] SelectionCollectionDataTest.HandlesKeywordOfPositionsInArithmetic (0 ms)
 67: [ RUN      ] SelectionCollectionDataTest.HandlesNumericComparisons
-67: [       OK ] SelectionCollectionDataTest.HandlesNumericComparisons (1 ms)
+67: [       OK ] SelectionCollectionDataTest.HandlesNumericComparisons (0 ms)
 67: [ RUN      ] SelectionCollectionDataTest.HandlesArithmeticExpressions
-67: [       OK ] SelectionCollectionDataTest.HandlesArithmeticExpressions (1 ms)
+67: [       OK ] SelectionCollectionDataTest.HandlesArithmeticExpressions (0 ms)
 67: [ RUN      ] SelectionCollectionDataTest.HandlesNumericVariables
 67: [       OK ] SelectionCollectionDataTest.HandlesNumericVariables (0 ms)
 67: [ RUN      ] SelectionCollectionDataTest.HandlesComplexNumericVariables
 67: [       OK ] SelectionCollectionDataTest.HandlesComplexNumericVariables (0 ms)
 67: [ RUN      ] SelectionCollectionDataTest.HandlesPositionVariables
-67: [       OK ] SelectionCollectionDataTest.HandlesPositionVariables (1 ms)
+67: [       OK ] SelectionCollectionDataTest.HandlesPositionVariables (0 ms)
 67: [ RUN      ] SelectionCollectionDataTest.HandlesPositionVariableInModifier
 67: [       OK ] SelectionCollectionDataTest.HandlesPositionVariableInModifier (0 ms)
 67: [ RUN      ] SelectionCollectionDataTest.HandlesConstantPositionInVariable
@@ -275079,12 +274989,12 @@
 67: [ RUN      ] SelectionCollectionDataTest.CopiedSelectionWorksPreCompilation
 67: [       OK ] SelectionCollectionDataTest.CopiedSelectionWorksPreCompilation (1 ms)
 67: [ RUN      ] SelectionCollectionDataTest.CopiedSelectionWorksPostCompilation
-67: [       OK ] SelectionCollectionDataTest.CopiedSelectionWorksPostCompilation (1 ms)
+67: [       OK ] SelectionCollectionDataTest.CopiedSelectionWorksPostCompilation (0 ms)
 67: [ RUN      ] SelectionCollectionDataTest.CopiedSelectionsAreIndependent
 67: [       OK ] SelectionCollectionDataTest.CopiedSelectionsAreIndependent (1 ms)
 67: [ RUN      ] SelectionCollectionDataTest.CopiedSelectionWithIndexPostCompilation
 67: [       OK ] SelectionCollectionDataTest.CopiedSelectionWithIndexPostCompilation (1 ms)
-67: [----------] 70 tests from SelectionCollectionDataTest (58 ms total)
+67: [----------] 70 tests from SelectionCollectionDataTest (43 ms total)
 67: 
 67: [----------] 17 tests from SelectionOptionTest
 67: [ RUN      ] SelectionOptionTest.ParsesSimpleSelection
@@ -275145,9 +275055,9 @@
 67: [----------] 9 tests from SelectionFileOptionTest (1 ms total)
 67: 
 67: [----------] Global test environment tear-down
-67: [==========] 201 tests from 11 test suites ran. (152 ms total)
+67: [==========] 201 tests from 11 test suites ran. (129 ms total)
 67: [  PASSED  ] 201 tests.
-67/96 Test #67: SelectionUnitTests ...........................   Passed    0.24 sec
+67/96 Test #67: SelectionUnitTests ...........................   Passed    0.21 sec
 test 68
       Start 68: MdrunOutputTests
 
@@ -275158,8 +275068,8 @@
 68: [----------] Global test environment set-up.
 68: [----------] 1 test from MdrunTest
 68: [ RUN      ] MdrunTest.WritesHelp
-68: [       OK ] MdrunTest.WritesHelp (13 ms)
-68: [----------] 1 test from MdrunTest (13 ms total)
+68: [       OK ] MdrunTest.WritesHelp (6 ms)
+68: [----------] 1 test from MdrunTest (6 ms total)
 68: 
 68: [----------] 3 tests from WithDifferentOutputGroupSettings/MdrunCompressedXOutput
 68: [ RUN      ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/0
@@ -275191,7 +275101,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc2'
 68: 1 steps,      0.0 ps.
-68: Setting the LD random seed to -71372807
+68: Setting the LD random seed to -181671489
 68: 
 68: Generated 3 of the 3 non-bonded parameter combinations
 68: 
@@ -275214,9 +275124,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.005        0.003      195.2
+68:        Time:        0.003        0.002      196.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:       68.647        0.350
+68: Performance:      113.797        0.211
 68: 
Reading frame       0 time    0.000   
 68: # Atoms  6
 68: 
Reading frame       1 time    0.001   
Last frame          1 time    0.001   
@@ -275231,7 +275141,7 @@
 68: Forces           0
 68: Box              2    0.001
 68: Checking file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_0.xtc
-68: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/0 (11 ms)
+68: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/0 (6 ms)
 68: [ RUN      ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/1
 68: Generating 1-4 interactions: fudge = 0.5
 68: Number of degrees of freedom in T-Coupling group rest is 9.00
@@ -275261,7 +275171,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc2'
 68: 1 steps,      0.0 ps.
-68: Setting the LD random seed to -1515389825
+68: Setting the LD random seed to -1631748105
 68: 
 68: Generated 3 of the 3 non-bonded parameter combinations
 68: 
@@ -275284,9 +275194,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      186.8
+68:        Time:        0.001        0.001      189.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      245.937        0.098
+68: Performance:      345.460        0.069
 68: 
Reading frame       0 time    0.000   
 68: # Atoms  6
 68: 
Reading frame       1 time    0.001   
Last frame          1 time    0.001   
@@ -275301,7 +275211,7 @@
 68: Forces           0
 68: Box              2    0.001
 68: Checking file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_1.xtc
-68: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/1 (7 ms)
+68: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/1 (4 ms)
 68: [ RUN      ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/2
 68: Generating 1-4 interactions: fudge = 0.5
 68: Number of degrees of freedom in T-Coupling group rest is 9.00
@@ -275331,7 +275241,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc2'
 68: 1 steps,      0.0 ps.
-68: Setting the LD random seed to -106570
+68: Setting the LD random seed to -320864322
 68: 
 68: Generated 3 of the 3 non-bonded parameter combinations
 68: 
@@ -275354,9 +275264,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      187.2
+68:        Time:        0.001        0.000      187.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      254.129        0.094
+68: Performance:      391.559        0.061
 68: 
Reading frame       0 time    0.000   
 68: # Atoms  3
 68: 
Reading frame       1 time    0.001   
Last frame          1 time    0.001   
@@ -275371,8 +275281,8 @@
 68: Forces           0
 68: Box              2    0.001
 68: Checking file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_2.xtc
-68: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/2 (7 ms)
-68: [----------] 3 tests from WithDifferentOutputGroupSettings/MdrunCompressedXOutput (27 ms total)
+68: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/2 (4 ms)
+68: [----------] 3 tests from WithDifferentOutputGroupSettings/MdrunCompressedXOutput (15 ms total)
 68: 
 68: [----------] 2 tests from Argon12/OutputFiles
 68: [ RUN      ] Argon12/OutputFiles.FilesArePresent/0
@@ -275424,14 +275334,11 @@
 68: 
 68: Writing final coordinates.
 68: 
-68: NOTE: 19 % of the run time was spent in pair search,
-68:       you might want to increase nstlist (this has no effect on accuracy)
-68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      192.3
+68:        Time:        0.001        0.001      192.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1415.252        0.017
-68: [       OK ] Argon12/OutputFiles.FilesArePresent/0 (6 ms)
+68: Performance:     2063.159        0.012
+68: [       OK ] Argon12/OutputFiles.FilesArePresent/0 (4 ms)
 68: [ RUN      ] Argon12/OutputFiles.FilesArePresent/1
 68: 
 68: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_1_input.mdp]:
@@ -275482,11 +275389,11 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.002        0.001      195.7
+68:        Time:        0.002        0.001      195.8
 68:                  (ns/day)    (hour/ns)
-68: Performance:     1260.608        0.019
-68: [       OK ] Argon12/OutputFiles.FilesArePresent/1 (7 ms)
-68: [----------] 2 tests from Argon12/OutputFiles (13 ms total)
+68: Performance:     1560.039        0.015
+68: [       OK ] Argon12/OutputFiles.FilesArePresent/1 (5 ms)
+68: [----------] 2 tests from Argon12/OutputFiles (9 ms total)
 68: 
 68: [----------] 3 tests from MdrunCanWrite/Trajectories
 68: [ RUN      ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/0
@@ -275512,7 +275419,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc-and-methanol'
 68: 6 steps,      0.0 ps.
-68: Setting the LD random seed to -285227058
+68: Setting the LD random seed to -1342262290
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -275535,10 +275442,10 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.006        0.003      197.1
+68:        Time:        0.006        0.003      197.2
 68:                  (ns/day)    (hour/ns)
-68: Performance:      183.700        0.131
-68: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/0 (9 ms)
+68: Performance:      216.739        0.111
+68: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/0 (7 ms)
 68: [ RUN      ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/1
 68: Number of degrees of freedom in T-Coupling group System is 12.00
 68: 
@@ -275562,7 +275469,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc-and-methanol'
 68: 6 steps,      0.0 ps.
-68: Setting the LD random seed to 1039531519
+68: Setting the LD random seed to -84443649
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -275585,9 +275492,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.005        0.002      196.5
+68:        Time:        0.004        0.002      196.3
 68:                  (ns/day)    (hour/ns)
-68: Performance:      247.075        0.097
+68: Performance:      286.182        0.084
 68: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/1 (7 ms)
 68: [ RUN      ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/2
 68: Number of degrees of freedom in T-Coupling group System is 12.00
@@ -275612,7 +275519,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc-and-methanol'
 68: 6 steps,      0.0 ps.
-68: Setting the LD random seed to 964685823
+68: Setting the LD random seed to -1083457541
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -275635,11 +275542,11 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.003        0.002      195.3
+68:        Time:        0.003        0.001      195.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:      378.897        0.063
+68: Performance:      412.005        0.058
 68: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/2 (6 ms)
-68: [----------] 3 tests from MdrunCanWrite/Trajectories (24 ms total)
+68: [----------] 3 tests from MdrunCanWrite/Trajectories (21 ms total)
 68: 
 68: [----------] 3 tests from MdrunCanWrite/NptTrajectories
 68: [ RUN      ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/0
@@ -275665,7 +275572,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc-and-methanol'
 68: 2 steps,      0.0 ps.
-68: Setting the LD random seed to -11047041
+68: Setting the LD random seed to -23069705
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -275688,9 +275595,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      190.5
+68:        Time:        0.001        0.001      188.0
 68:                  (ns/day)    (hour/ns)
-68: Performance:      389.107        0.062
+68: Performance:      379.994        0.063
 68: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/0 (5 ms)
 68: [ RUN      ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/1
 68: 
@@ -275723,7 +275630,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc-and-methanol'
 68: 2 steps,      0.0 ps.
-68: Setting the LD random seed to -1758208085
+68: Setting the LD random seed to -67438665
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -275746,9 +275653,9 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      190.6
+68:        Time:        0.001        0.001      190.9
 68:                  (ns/day)    (hour/ns)
-68: Performance:      366.295        0.066
+68: Performance:      377.225        0.064
 68: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/1 (5 ms)
 68: [ RUN      ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/2
 68: Number of degrees of freedom in T-Coupling group System is 12.00
@@ -275773,7 +275680,7 @@
 68:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 68: starting mdrun 'spc-and-methanol'
 68: 2 steps,      0.0 ps.
-68: Setting the LD random seed to -1088733382
+68: Setting the LD random seed to -371196229
 68: 
 68: Generated 8 of the 10 non-bonded parameter combinations
 68: 
@@ -275796,16 +275703,16 @@
 68: Writing final coordinates.
 68: 
 68:                Core t (s)   Wall t (s)        (%)
-68:        Time:        0.001        0.001      190.3
+68:        Time:        0.001        0.001      190.7
 68:                  (ns/day)    (hour/ns)
-68: Performance:      380.793        0.063
+68: Performance:      401.909        0.060
 68: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/2 (5 ms)
-68: [----------] 3 tests from MdrunCanWrite/NptTrajectories (17 ms total)
+68: [----------] 3 tests from MdrunCanWrite/NptTrajectories (16 ms total)
 68: 
 68: [----------] Global test environment tear-down
-68: [==========] 12 tests from 5 test suites ran. (121 ms total)
+68: [==========] 12 tests from 5 test suites ran. (86 ms total)
 68: [  PASSED  ] 12 tests.
-68/96 Test #68: MdrunOutputTests .............................   Passed    0.22 sec
+68/96 Test #68: MdrunOutputTests .............................   Passed    0.16 sec
 test 69
       Start 69: MdrunModulesTests
 
@@ -275842,14 +275749,14 @@
 69: Maximum force     =  4.5099883e+03 on atom 3
 69: Norm of force     =  1.6816849e+03
 69: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectInnerProduct.edr as single precision energy file
-69: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to -1948388235
+69: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to -1291846915
 69: 
 69: Generated 1 of the 1 non-bonded parameter combinations
 69: 
 69: Excluding 1 bonded neighbours molecule type 'Argon'
 69: 
 69: This run will generate roughly 0 Mb of data
-69: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProduct (6 ms)
+69: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProduct (5 ms)
 69: [ RUN      ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductTranslation
 69: Number of degrees of freedom in T-Coupling group rest is 33.00
 69: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
@@ -275877,7 +275784,7 @@
 69: Maximum force     =  7.3954834e+03 on atom 2
 69: Norm of force     =  2.7825089e+03
 69: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectInnerProductTranslation.edr as single precision energy file
-69: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to -37973317
+69: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to -1342177554
 69: 
 69: Generated 1 of the 1 non-bonded parameter combinations
 69: 
@@ -275916,14 +275823,14 @@
 69: Maximum force     =  6.1322017e+03 on atom 2
 69: Norm of force     =  1.7702150e+03
 69: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectInnerProductTranslationAndTransformationMatrix.edr as single precision energy file
-69: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         Setting the LD random seed to -1146110987
+69: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         Setting the LD random seed to -16793602
 69: 
 69: Generated 1 of the 1 non-bonded parameter combinations
 69: 
 69: Excluding 1 bonded neighbours molecule type 'Argon'
 69: 
 69: This run will generate roughly 0 Mb of data
-69: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductTranslationAndTransformationMatrix (5 ms)
+69: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductTranslationAndTransformationMatrix (4 ms)
 69: [ RUN      ] DensityFittingTest.EnergyMinimizationEnergyMatrixTransfromationOff
 69: [       OK ] DensityFittingTest.EnergyMinimizationEnergyMatrixTransfromationOff (0 ms)
 69: [ RUN      ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductIdentityMatrix
@@ -275953,14 +275860,14 @@
 69: Maximum force     =  4.5099883e+03 on atom 3
 69: Norm of force     =  1.6816849e+03
 69: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectInnerProductIdentityMatrix.edr as single precision energy file
-69: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to -287639297
+69: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to -142696994
 69: 
 69: Generated 1 of the 1 non-bonded parameter combinations
 69: 
 69: Excluding 1 bonded neighbours molecule type 'Argon'
 69: 
 69: This run will generate roughly 0 Mb of data
-69: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductIdentityMatrix (5 ms)
+69: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProductIdentityMatrix (3 ms)
 69: [ RUN      ] DensityFittingTest.EnergyMinimizationEnergyCorrectForRelativeEntropy
 69: Number of degrees of freedom in T-Coupling group rest is 33.00
 69: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
@@ -275988,14 +275895,14 @@
 69: Maximum force     =  6.7827656e+03 on atom 2
 69: Norm of force     =  1.9608866e+03
 69: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectForRelativeEntropy.edr as single precision energy file
-69: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to -167777323
+69: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         Setting the LD random seed to 2062010015
 69: 
 69: Generated 1 of the 1 non-bonded parameter combinations
 69: 
 69: Excluding 1 bonded neighbours molecule type 'Argon'
 69: 
 69: This run will generate roughly 0 Mb of data
-69: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectForRelativeEntropy (5 ms)
+69: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectForRelativeEntropy (3 ms)
 69: [ RUN      ] DensityFittingTest.GromppErrorWhenEnergyEvaluationFrequencyMismatch
 69: [       OK ] DensityFittingTest.GromppErrorWhenEnergyEvaluationFrequencyMismatch (0 ms)
 69: [ RUN      ] DensityFittingTest.CheckpointWorks
@@ -276024,7 +275931,7 @@
 69:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 69: starting mdrun 'Argon'
 69: 2 steps,      0.0 ps.
-69: Setting the LD random seed to -595075619
+69: Setting the LD random seed to -543260885
 69: 
 69: Generated 1 of the 1 non-bonded parameter combinations
 69: 
@@ -276045,9 +275952,9 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.003        0.002      195.4
+69:        Time:        0.003        0.001      196.3
 69:                  (ns/day)    (hour/ns)
-69: Performance:      154.823        0.155
+69: Performance:      179.134        0.134
 69: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 69: Overriding nsteps with value passed on the command line: 4 steps, 0.004 ps
 69: Can not increase nstlist because an NVE ensemble is used
@@ -276066,12 +275973,12 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.001        0.001      189.6
+69:        Time:        0.001        0.001      190.7
 69:                  (ns/day)    (hour/ns)
-69: Performance:      681.436        0.035
+69: Performance:      846.305        0.028
 69: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks.edr as single precision energy file
-69: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.002         
Last energy frame read 1 time    0.002         [       OK ] DensityFittingTest.CheckpointWorks (9 ms)
-69: [----------] 9 tests from DensityFittingTest (37 ms total)
+69: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.002         
Last energy frame read 1 time    0.002         [       OK ] DensityFittingTest.CheckpointWorks (7 ms)
+69: [----------] 9 tests from DensityFittingTest (29 ms total)
 69: 
 69: [----------] 4 tests from MimicTest
 69: [ RUN      ] MimicTest.OneQuantumMol
@@ -276111,15 +276018,15 @@
 69: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 69: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 69: 
-69: NOTE: 21 % of the run time was spent in pair search,
+69: NOTE: 29 % of the run time was spent in pair search,
 69:       you might want to increase nstlist (this has no effect on accuracy)
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.000        0.000      184.1
+69:        Time:        0.000        0.000      187.0
 69:                  (ns/day)    (hour/ns)
-69: Performance:      471.246        0.051
+69: Performance:      399.546        0.060
 69: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol.edr as single precision energy file
-69: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -155239425
+69: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -287140961
 69: 
 69: Generated 10 of the 10 non-bonded parameter combinations
 69: 
@@ -276168,12 +276075,15 @@
 69: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 69: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 69: 
+69: NOTE: 20 % of the run time was spent in pair search,
+69:       you might want to increase nstlist (this has no effect on accuracy)
+69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.001        0.000      191.9
+69:        Time:        0.000        0.000      184.6
 69:                  (ns/day)    (hour/ns)
-69: Performance:      212.420        0.113
+69: Performance:      525.962        0.046
 69: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol.edr as single precision energy file
-69: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -134217737
+69: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -218333469
 69: 
 69: Generated 10 of the 10 non-bonded parameter combinations
 69: 
@@ -276184,7 +276094,7 @@
 69: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/4water.gro', all velocities are zero
 69: 
 69: This run will generate roughly 0 Mb of data
-69: [       OK ] MimicTest.AllQuantumMol (5 ms)
+69: [       OK ] MimicTest.AllQuantumMol (4 ms)
 69: [ RUN      ] MimicTest.TwoQuantumMol
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]:
@@ -276222,15 +276132,15 @@
 69: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 69: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 69: 
-69: NOTE: 18 % of the run time was spent in pair search,
+69: NOTE: 22 % of the run time was spent in pair search,
 69:       you might want to increase nstlist (this has no effect on accuracy)
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.000        0.000      184.6
+69:        Time:        0.000        0.000      186.0
 69:                  (ns/day)    (hour/ns)
-69: Performance:      466.394        0.051
+69: Performance:      462.229        0.052
 69: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol.edr as single precision energy file
-69: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -919470345
+69: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -42106898
 69: 
 69: Generated 10 of the 10 non-bonded parameter combinations
 69: 
@@ -276241,7 +276151,7 @@
 69: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/4water.gro', all velocities are zero
 69: 
 69: This run will generate roughly 0 Mb of data
-69: [       OK ] MimicTest.TwoQuantumMol (4 ms)
+69: [       OK ] MimicTest.TwoQuantumMol (3 ms)
 69: [ RUN      ] MimicTest.BondCuts
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]:
@@ -276279,15 +276189,15 @@
 69: Reading frames from gro file 'Alanine dipeptide in water', 23 atoms.
 69: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 69: 
-69: NOTE: 20 % of the run time was spent in pair search,
+69: NOTE: 22 % of the run time was spent in pair search,
 69:       you might want to increase nstlist (this has no effect on accuracy)
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.001        0.000      191.0
+69:        Time:        0.001        0.000      191.8
 69:                  (ns/day)    (hour/ns)
-69: Performance:      291.543        0.082
+69: Performance:      278.760        0.086
 69: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts.edr as single precision energy file
-69: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -1073794561
+69: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Setting the LD random seed to -303562801
 69: 
 69: Generated 2211 of the 2211 non-bonded parameter combinations
 69: 
@@ -276306,8 +276216,8 @@
 69: Note that mdrun will redetermine rlist based on the actual pair-list setup
 69: 
 69: This run will generate roughly 0 Mb of data
-69: [       OK ] MimicTest.BondCuts (10 ms)
-69: [----------] 4 tests from MimicTest (25 ms total)
+69: [       OK ] MimicTest.BondCuts (8 ms)
+69: [----------] 4 tests from MimicTest (21 ms total)
 69: 
 69: [----------] 2 tests from WithIntegrator/ImdTest
 69: [ RUN      ] WithIntegrator/ImdTest.ImdCanRun/0
@@ -276345,11 +276255,11 @@
 69: IMD: Pulling from IMD remote is enabled (-imdpull).
 69: IMD: Setting port for connection requests to 0.
 69: IMD: Setting up incoming socket.
-69: IMD: Listening for IMD connection on port 43859.
+69: IMD: Listening for IMD connection on port 56405.
 69: IMD: -imdwait not set, starting simulation.
 69: starting mdrun 'Glycine'
 69: 2 steps,      0.0 ps.
-69: Setting the LD random seed to -1659910274
+69: Setting the LD random seed to -46604475
 69: 
 69: Generated 20503 of the 20503 non-bonded parameter combinations
 69: 
@@ -276372,10 +276282,10 @@
 69: Writing final coordinates.
 69: 
 69:                Core t (s)   Wall t (s)        (%)
-69:        Time:        0.001        0.001      187.9
+69:        Time:        0.001        0.001      188.7
 69:                  (ns/day)    (hour/ns)
-69: Performance:      912.816        0.026
-69: [       OK ] WithIntegrator/ImdTest.ImdCanRun/0 (63 ms)
+69: Performance:      885.673        0.027
+69: [       OK ] WithIntegrator/ImdTest.ImdCanRun/0 (57 ms)
 69: [ RUN      ] WithIntegrator/ImdTest.ImdCanRun/1
 69: 
 69: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/WithIntegrator_ImdTest_ImdCanRun_1_input.mdp]:
@@ -276408,7 +276318,7 @@
 69: IMD: Pulling from IMD remote is enabled (-imdpull).
 69: IMD: Setting port for connection requests to 0.
 69: IMD: Setting up incoming socket.
-69: IMD: Listening for IMD connection on port 55891.
+69: IMD: Listening for IMD connection on port 55443.
 69: IMD: -imdwait not set, starting simulation.
 69: 
 69: Steepest Descents:
@@ -276424,7 +276334,7 @@
 69: Potential Energy  =  1.1977061e+03
 69: Maximum force     =  1.7794875e+04 on atom 9
 69: Norm of force     =  7.8732895e+03
-69: Setting the LD random seed to 1069413759
+69: Setting the LD random seed to -1181767701
 69: 
 69: Generated 20503 of the 20503 non-bonded parameter combinations
 69: 
@@ -276433,13 +276343,13 @@
 69: Excluding 3 bonded neighbours molecule type 'Glycine'
 69: 
 69: This run will generate roughly 0 Mb of data
-69: [       OK ] WithIntegrator/ImdTest.ImdCanRun/1 (49 ms)
-69: [----------] 2 tests from WithIntegrator/ImdTest (112 ms total)
+69: [       OK ] WithIntegrator/ImdTest.ImdCanRun/1 (53 ms)
+69: [----------] 2 tests from WithIntegrator/ImdTest (110 ms total)
 69: 
 69: [----------] Global test environment tear-down
-69: [==========] 15 tests from 3 test suites ran. (192 ms total)
+69: [==========] 15 tests from 3 test suites ran. (174 ms total)
 69: [  PASSED  ] 15 tests.
-69/96 Test #69: MdrunModulesTests ............................   Passed    0.28 sec
+69/96 Test #69: MdrunModulesTests ............................   Passed    0.25 sec
 test 70
       Start 70: MdrunIOTests
 
@@ -276470,7 +276380,7 @@
 70: 
 70: 
 70: There were 3 NOTEs
-70: Setting the LD random seed to -1075840068
+70: Setting the LD random seed to -170039425
 70: 
 70: Generated 8 of the 10 non-bonded parameter combinations
 70: 
@@ -276517,7 +276427,7 @@
 70: 
 70: 
 70: There were 3 NOTEs
-70: Setting the LD random seed to -25580565
+70: Setting the LD random seed to 1038049279
 70: 
 70: Generated 8 of the 10 non-bonded parameter combinations
 70: 
@@ -276536,7 +276446,7 @@
 70: Note that mdrun will redetermine rlist based on the actual pair-list setup
 70: 
 70: This run will generate roughly 0 Mb of data
-70: [       OK ] GromppTest.SimulatedAnnealingWorks (4 ms)
+70: [       OK ] GromppTest.SimulatedAnnealingWorks (3 ms)
 70: [ RUN      ] GromppTest.SimulatedAnnealingWorksWithMultipleGroups
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/GromppTest_SimulatedAnnealingWorksWithMultipleGroups_input.mdp]:
@@ -276570,7 +276480,7 @@
 70: 
 70: 
 70: There were 3 NOTEs
-70: Setting the LD random seed to -388763655
+70: Setting the LD random seed to -21037149
 70: 
 70: Generated 8 of the 10 non-bonded parameter combinations
 70: 
@@ -276589,7 +276499,7 @@
 70: Note that mdrun will redetermine rlist based on the actual pair-list setup
 70: 
 70: This run will generate roughly 0 Mb of data
-70: [       OK ] GromppTest.SimulatedAnnealingWorksWithMultipleGroups (4 ms)
+70: [       OK ] GromppTest.SimulatedAnnealingWorksWithMultipleGroups (3 ms)
 70: [ RUN      ] GromppTest.DeathTestHandlesNoMaxwarnError
 70: [       OK ] GromppTest.DeathTestHandlesNoMaxwarnError (0 ms)
 70: [ RUN      ] GromppTest.HandlesMaxwarn
@@ -276615,7 +276525,7 @@
 70: There were 2 NOTEs
 70: 
 70: There was 1 WARNING
-70: Setting the LD random seed to 835709950
+70: Setting the LD random seed to -319684619
 70: 
 70: Generated 8 of the 10 non-bonded parameter combinations
 70: 
@@ -276634,7 +276544,7 @@
 70: Note that mdrun will redetermine rlist based on the actual pair-list setup
 70: 
 70: This run will generate roughly 0 Mb of data
-70: [       OK ] GromppTest.HandlesMaxwarn (4 ms)
+70: [       OK ] GromppTest.HandlesMaxwarn (3 ms)
 70: [ RUN      ] GromppTest.MaxwarnShouldBePositive
 70: [       OK ] GromppTest.MaxwarnShouldBePositive (0 ms)
 70: [ RUN      ] GromppTest.ValidTransformationCoord
@@ -276665,7 +276575,7 @@
 70:        2         3         2       0.613 nm          0.000 nm
 70: 
 70: There were 3 NOTEs
-70: Setting the LD random seed to -1477443717
+70: Setting the LD random seed to -287457559
 70: 
 70: Generated 8 of the 10 non-bonded parameter combinations
 70: 
@@ -276684,7 +276594,7 @@
 70: Note that mdrun will redetermine rlist based on the actual pair-list setup
 70: 
 70: This run will generate roughly 0 Mb of data
-70: [       OK ] GromppTest.ValidTransformationCoord (5 ms)
+70: [       OK ] GromppTest.ValidTransformationCoord (4 ms)
 70: [ RUN      ] GromppTest.InvalidTransformationCoord
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/GromppTest_InvalidTransformationCoord_input.mdp]:
@@ -276710,7 +276620,7 @@
 70:        1         3         5
 70:        2         3         2       0.613 nm          0.000 nm
 70:        1         3         5
-70:        2         3         2 Setting the LD random seed to 2092957069
+70:        2         3         2 Setting the LD random seed to -35758213
 70: 
 70: Generated 8 of the 10 non-bonded parameter combinations
 70: 
@@ -276727,10 +276637,10 @@
 70: Set rlist, assuming 4x4 atom pair-list, to 1.072 nm, buffer size 0.072 nm
 70: 
 70: Note that mdrun will redetermine rlist based on the actual pair-list setup
-70: [       OK ] GromppTest.InvalidTransformationCoord (5 ms)
+70: [       OK ] GromppTest.InvalidTransformationCoord (4 ms)
 70: [ RUN      ] GromppTest.RejectCRescaleAndAnisotropic
 70: [       OK ] GromppTest.RejectCRescaleAndAnisotropic (0 ms)
-70: [----------] 9 tests from GromppTest (28 ms total)
+70: [----------] 9 tests from GromppTest (24 ms total)
 70: 
 70: [----------] 6 tests from MdrunTerminationTest
 70: [ RUN      ] MdrunTerminationTest.CheckpointRestartAppendsByDefault
@@ -276757,7 +276667,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'spc2'
 70: 2 steps,      0.0 ps.
-70: Setting the LD random seed to -1619009769
+70: Setting the LD random seed to -1082777608
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -276780,9 +276690,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.002      195.3
+70:        Time:        0.003        0.002      190.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:      144.781        0.166
+70: Performance:      150.327        0.160
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartAppendsByDefault.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Setting nsteps to 4
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartAppendsByDefault.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -276819,10 +276729,10 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      188.9
+70:        Time:        0.001        0.001      189.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:      418.946        0.057
-70: [       OK ] MdrunTerminationTest.CheckpointRestartAppendsByDefault (11 ms)
+70: Performance:      435.737        0.055
+70: [       OK ] MdrunTerminationTest.CheckpointRestartAppendsByDefault (10 ms)
 70: [ RUN      ] MdrunTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts
 70: Generating 1-4 interactions: fudge = 0.5
 70: Number of degrees of freedom in T-Coupling group System is 9.00
@@ -276848,8 +276758,8 @@
 70: starting mdrun 'spc2'
 70: 100 steps,      0.1 ps.
 70: 
-70: Step 3: Run time exceeded 0.000 hours, will terminate the run within 200 steps
-70: Setting the LD random seed to -1074797073
+70: Step 10: Run time exceeded 0.000 hours, will terminate the run within 200 steps
+70: Setting the LD random seed to -538039365
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -276875,9 +276785,9 @@
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.006        0.003      197.6
+70:        Time:        0.006        0.003      197.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:     2707.388        0.009
+70: Performance:     2743.099        0.009
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Setting nsteps to 102
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -276914,9 +276824,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      188.4
+70:        Time:        0.001        0.001      187.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:      455.834        0.053
+70: Performance:      501.922        0.048
 70: [       OK ] MdrunTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts (11 ms)
 70: [ RUN      ] MdrunTerminationTest.CheckpointRestartWithNoAppendWorksAndCannotLaterAppend
 70: Generating 1-4 interactions: fudge = 0.5
@@ -276942,7 +276852,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'spc2'
 70: 2 steps,      0.0 ps.
-70: Setting the LD random seed to -11079941
+70: Setting the LD random seed to 2146286934
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -276965,9 +276875,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      187.5
+70:        Time:        0.001        0.001      190.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:      513.055        0.047
+70: Performance:      367.658        0.065
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Setting nsteps to 4
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -277004,9 +276914,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      192.7
+70:        Time:        0.001        0.001      176.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:      461.641        0.052
+70: Performance:      471.041        0.051
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Setting nsteps to 6
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -277043,9 +276953,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.000      191.8
+70:        Time:        0.001        0.000      192.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:      551.300        0.044
+70: Performance:      577.357        0.042
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Setting nsteps to 8
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -277082,9 +276992,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      194.0
+70:        Time:        0.001        0.000      192.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:      387.581        0.062
+70: Performance:      581.371        0.041
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 10 to 50, rlist from 1.032 to 1.21
 70: 
@@ -277099,13 +277009,13 @@
 70: starting mdrun 'spc2'
 70: 8 steps,      0.0 ps (continuing from step 8,      0.0 ps).
 70: 
-70: NOTE: 25 % of the run time was spent in pair search,
+70: NOTE: 20 % of the run time was spent in pair search,
 70:       you might want to increase nstlist (this has no effect on accuracy)
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.000        0.000      170.0
+70:        Time:        0.000        0.000      172.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:      687.643        0.035
+70: Performance:      602.975        0.040
 70: [       OK ] MdrunTerminationTest.CheckpointRestartWithNoAppendWorksAndCannotLaterAppend (16 ms)
 70: [ RUN      ] MdrunTerminationTest.CheckpointRestartWorksEvenWithMissingCheckpointFile
 70: Generating 1-4 interactions: fudge = 0.5
@@ -277131,7 +277041,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'spc2'
 70: 2 steps,      0.0 ps.
-70: Setting the LD random seed to -1912687177
+70: Setting the LD random seed to 1879011319
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -277154,9 +277064,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.000      187.8
+70:        Time:        0.001        0.000      188.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:      532.662        0.045
+70: Performance:      574.915        0.042
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithMissingCheckpointFile.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Setting nsteps to 4
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithMissingCheckpointFile.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -277193,9 +277103,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.000      188.4
+70:        Time:        0.001        0.000      188.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:      883.442        0.027
+70: Performance:      932.547        0.026
 70: [       OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithMissingCheckpointFile (7 ms)
 70: [ RUN      ] MdrunTerminationTest.CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile
 70: Generating 1-4 interactions: fudge = 0.5
@@ -277221,7 +277131,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'spc2'
 70: 2 steps,      0.0 ps.
-70: Setting the LD random seed to 1037041663
+70: Setting the LD random seed to -570638789
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -277244,9 +277154,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.000      187.5
+70:        Time:        0.001        0.000      188.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:      566.231        0.042
+70: Performance:      568.303        0.042
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Setting nsteps to 4
 70: Input file:
@@ -277291,7 +277201,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'spc2'
 70: 2 steps,      0.0 ps.
-70: Setting the LD random seed to -1093009921
+70: Setting the LD random seed to -1639973909
 70: 
 70: Generated 3 of the 3 non-bonded parameter combinations
 70: 
@@ -277314,9 +277224,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.000      188.4
+70:        Time:        0.001        0.000      187.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:      546.588        0.044
+70: Performance:      607.693        0.039
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_RunWithNoAppendCreatesPartFiles.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Setting nsteps to 4
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_RunWithNoAppendCreatesPartFiles.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -277353,11 +277263,11 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.000      191.5
+70:        Time:        0.001        0.000      192.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:      557.806        0.043
-70: [       OK ] MdrunTerminationTest.RunWithNoAppendCreatesPartFiles (7 ms)
-70: [----------] 6 tests from MdrunTerminationTest (59 ms total)
+70: Performance:      605.662        0.040
+70: [       OK ] MdrunTerminationTest.RunWithNoAppendCreatesPartFiles (6 ms)
+70: [----------] 6 tests from MdrunTerminationTest (58 ms total)
 70: 
 70: [----------] 2 tests from CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks
 70: [ RUN      ] CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks.WithinTolerances/0
@@ -277419,17 +277329,14 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 11 % of the run time was spent in pair search,
-70:       you might want to increase nstlist (this has no effect on accuracy)
-70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      192.3
+70:        Time:        0.001        0.001      192.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1902.005        0.013
+70: Performance:     2157.826        0.011
 70: trr version: GMX_trn_file (single precision)
 70: 
 70: 
-70: [       OK ] CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks.WithinTolerances/0 (5 ms)
+70: [       OK ] CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks.WithinTolerances/0 (4 ms)
 70: [ RUN      ] CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks.WithinTolerances/1
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/CheckpointCoordinatesAreSane_CheckpointCoordinatesSanityChecks_WithinTolerances_1_input.mdp]:
@@ -277490,13 +277397,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      195.5
+70:        Time:        0.002        0.001      195.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1473.474        0.016
+70: Performance:     1547.888        0.016
 70: 
 70: 
-70: [       OK ] CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks.WithinTolerances/1 (5 ms)
-70: [----------] 2 tests from CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks (10 ms total)
+70: [       OK ] CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks.WithinTolerances/1 (4 ms)
+70: [----------] 2 tests from CheckpointCoordinatesAreSane/CheckpointCoordinatesSanityChecks (9 ms total)
 70: 
 70: [----------] 24 tests from NormalIntegrators/MdrunNoAppendContinuationIsExact
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -277582,9 +277489,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      192.2
+70:        Time:        0.002        0.001      193.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1975.182        0.012
+70: Performance:     1789.310        0.013
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -277603,7 +277510,7 @@
 70:                Core t (s)   Wall t (s)        (%)
 70:        Time:        0.001        0.001      190.4
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1298.881        0.018
+70: Performance:     1456.673        0.016
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -277620,13 +277527,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      190.9
+70:        Time:        0.001        0.001      191.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1230.287        0.020
+70: Performance:     1314.587        0.018
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (11 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (10 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -277710,9 +277617,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      191.7
+70:        Time:        0.001        0.001      192.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1913.228        0.013
+70: Performance:     2091.882        0.011
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -277729,9 +277636,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      190.0
+70:        Time:        0.001        0.001      190.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1290.657        0.019
+70: Performance:     1397.383        0.017
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -277748,13 +277655,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      190.7
+70:        Time:        0.001        0.001      190.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1254.902        0.019
+70: Performance:     1369.224        0.018
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (11 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (10 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/2
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]:
@@ -277838,9 +277745,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      195.9
+70:        Time:        0.002        0.001      195.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1480.912        0.016
+70: Performance:     1700.882        0.014
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -277857,9 +277764,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      194.6
+70:        Time:        0.002        0.001      195.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1034.409        0.023
+70: Performance:      985.642        0.024
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -277876,13 +277783,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      191.7
+70:        Time:        0.001        0.001      192.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:      937.479        0.026
+70: Performance:     1018.897        0.024
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (12 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (11 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/3
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]:
@@ -277966,9 +277873,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      195.7
+70:        Time:        0.002        0.001      195.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1465.412        0.016
+70: Performance:     1589.831        0.015
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -277985,9 +277892,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      195.0
+70:        Time:        0.001        0.001      194.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1018.261        0.024
+70: Performance:     1079.964        0.022
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -278004,13 +277911,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      191.7
+70:        Time:        0.002        0.001      193.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:      943.445        0.025
+70: Performance:      850.011        0.028
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (12 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (11 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/4
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]:
@@ -278079,9 +277986,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      192.8
+70:        Time:        0.002        0.001      194.0
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1862.895        0.013
+70: Performance:     1852.810        0.013
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -278097,9 +278004,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      191.2
+70:        Time:        0.001        0.001      191.4
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1331.221        0.018
+70: Performance:     1448.264        0.017
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -278115,13 +278022,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      192.2
+70:        Time:        0.001        0.001      192.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1195.561        0.020
+70: Performance:     1348.281        0.018
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (11 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (10 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/5
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]:
@@ -278192,9 +278099,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      192.9
+70:        Time:        0.001        0.001      193.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1984.727        0.012
+70: Performance:     2148.045        0.011
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 100, rlist from 0.709 to 0.733
 70: 
@@ -278212,9 +278119,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      191.6
+70:        Time:        0.001        0.001      192.0
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1361.223        0.018
+70: Performance:     1458.627        0.016
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 100, rlist from 0.709 to 0.733
 70: 
@@ -278232,13 +278139,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      192.3
+70:        Time:        0.001        0.001      191.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1260.723        0.019
+70: Performance:     1344.945        0.018
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (11 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (10 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/6
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]:
@@ -278311,9 +278218,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      194.1
+70:        Time:        0.001        0.001      193.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1735.379        0.014
+70: Performance:     2039.256        0.012
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -278328,10 +278235,13 @@
 70: 
 70: Writing final coordinates.
 70: 
+70: NOTE: 10 % of the run time was spent in pair search,
+70:       you might want to increase nstlist (this has no effect on accuracy)
+70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      191.7
+70:        Time:        0.001        0.001      192.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1356.129        0.018
+70: Performance:     1344.390        0.018
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -278347,13 +278257,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      193.7
+70:        Time:        0.001        0.001      192.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1001.071        0.024
+70: Performance:     1304.596        0.018
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (11 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (10 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/7
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]:
@@ -278428,9 +278338,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      193.3
+70:        Time:        0.001        0.001      193.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:     2053.531        0.012
+70: Performance:     2171.517        0.011
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 100, rlist from 0.702 to 0.738
 70: 
@@ -278450,7 +278360,7 @@
 70:                Core t (s)   Wall t (s)        (%)
 70:        Time:        0.001        0.001      192.0
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1296.300        0.019
+70: Performance:     1384.922        0.017
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 100, rlist from 0.702 to 0.738
 70: 
@@ -278468,13 +278378,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      191.8
+70:        Time:        0.001        0.001      192.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1284.557        0.019
+70: Performance:     1360.655        0.018
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (11 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (10 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/8
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]:
@@ -278578,9 +278488,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      192.2
+70:        Time:        0.001        0.001      192.4
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1931.221        0.012
+70: Performance:     2029.181        0.012
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -278599,7 +278509,7 @@
 70:                Core t (s)   Wall t (s)        (%)
 70:        Time:        0.001        0.001      190.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1233.078        0.019
+70: Performance:     1401.586        0.017
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -278616,13 +278526,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      190.8
+70:        Time:        0.001        0.001      191.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1210.650        0.020
+70: Performance:     1292.703        0.019
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/8 (11 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/8 (10 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/9
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]:
@@ -278726,9 +278636,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      192.3
+70:        Time:        0.001        0.001      192.4
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1940.344        0.012
+70: Performance:     2046.709        0.012
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -278745,9 +278655,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      190.7
+70:        Time:        0.001        0.001      190.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1326.348        0.018
+70: Performance:     1373.259        0.017
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -278764,13 +278674,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      191.0
+70:        Time:        0.001        0.001      190.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1208.407        0.020
+70: Performance:     1338.871        0.018
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/9 (11 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/9 (10 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/10
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_input.mdp]:
@@ -278874,9 +278784,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      195.5
+70:        Time:        0.002        0.001      195.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1418.838        0.017
+70: Performance:     1544.008        0.016
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -278893,9 +278803,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      194.6
+70:        Time:        0.002        0.001      194.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:      996.484        0.024
+70: Performance:     1005.702        0.024
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -278912,13 +278822,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      192.5
+70:        Time:        0.001        0.001      193.0
 70:                  (ns/day)    (hour/ns)
-70: Performance:      923.151        0.026
+70: Performance:     1002.302        0.024
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/10 (12 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/10 (11 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/11
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]:
@@ -279022,9 +278932,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      195.2
+70:        Time:        0.002        0.001      195.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1444.792        0.017
+70: Performance:     1534.394        0.016
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -279041,9 +278951,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      194.6
+70:        Time:        0.001        0.001      194.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:      953.652        0.025
+70: Performance:     1041.677        0.023
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -279060,13 +278970,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      191.8
+70:        Time:        0.002        0.001      192.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:      942.355        0.025
+70: Performance:      978.839        0.025
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/11 (12 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/11 (11 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/12
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_12_input.mdp]:
@@ -279153,9 +279063,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      193.0
+70:        Time:        0.001        0.001      192.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1962.598        0.012
+70: Performance:     2025.179        0.012
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_12_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -279171,9 +279081,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      190.6
+70:        Time:        0.001        0.001      190.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1306.164        0.018
+70: Performance:     1425.477        0.017
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_12_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -279189,13 +279099,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      191.3
+70:        Time:        0.001        0.001      191.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1229.823        0.020
+70: Performance:     1307.211        0.018
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_12_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_12_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_12_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/12 (11 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/12 (10 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/13
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_13_input.mdp]:
@@ -279284,9 +279194,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      192.9
+70:        Time:        0.001        0.001      193.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1979.625        0.012
+70: Performance:     1963.849        0.012
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_13_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 100, rlist from 0.73 to 0.811
 70: 
@@ -279304,9 +279214,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      190.9
+70:        Time:        0.001        0.001      190.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1305.118        0.018
+70: Performance:     1419.892        0.017
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_13_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 100, rlist from 0.73 to 0.811
 70: 
@@ -279324,13 +279234,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      191.4
+70:        Time:        0.001        0.001      191.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1203.058        0.020
+70: Performance:     1252.974        0.019
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_13_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_13_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_13_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/13 (13 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/13 (12 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/14
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_14_input.mdp]:
@@ -279421,9 +279331,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      193.6
+70:        Time:        0.002        0.001      193.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1764.202        0.014
+70: Performance:     1738.807        0.014
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_14_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -279439,9 +279349,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      192.1
+70:        Time:        0.001        0.001      192.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1231.681        0.019
+70: Performance:     1325.271        0.018
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_14_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -279457,13 +279367,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      192.2
+70:        Time:        0.001        0.001      192.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1152.063        0.021
+70: Performance:     1171.933        0.020
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_14_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_14_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_14_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/14 (12 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/14 (10 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/15
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_15_input.mdp]:
@@ -279556,9 +279466,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      193.5
+70:        Time:        0.001        0.001      193.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1837.886        0.013
+70: Performance:     1987.930        0.012
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_15_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 25, rlist from 0.752 to 0.89
 70: 
@@ -279576,9 +279486,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      191.4
+70:        Time:        0.001        0.001      191.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1246.747        0.019
+70: Performance:     1321.512        0.018
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_15_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 25, rlist from 0.752 to 0.89
 70: 
@@ -279596,13 +279506,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      192.3
+70:        Time:        0.001        0.001      191.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1156.147        0.021
+70: Performance:     1322.047        0.018
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_15_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_15_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_15_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/15 (12 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/15 (10 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/16
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_16_input.mdp]:
@@ -279752,9 +279662,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.004        0.002      196.2
+70:        Time:        0.004        0.002      194.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:      650.538        0.037
+70: Performance:      657.761        0.036
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_16_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -279773,9 +279683,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      193.6
+70:        Time:        0.002        0.001      193.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:      646.480        0.037
+70: Performance:      706.103        0.034
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_16_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -279794,13 +279704,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      193.3
+70:        Time:        0.002        0.001      193.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:      618.292        0.039
+70: Performance:      671.089        0.036
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_16_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_16_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_16_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/16 (26 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/16 (25 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/17
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_17_input.mdp]:
@@ -279950,9 +279860,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.004        0.002      195.9
+70:        Time:        0.004        0.002      196.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:      643.942        0.037
+70: Performance:      648.279        0.037
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_17_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -279971,9 +279881,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.001      193.9
+70:        Time:        0.002        0.001      193.4
 70:                  (ns/day)    (hour/ns)
-70: Performance:      576.541        0.042
+70: Performance:      677.220        0.035
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_17_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -279992,13 +279902,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      193.5
+70:        Time:        0.002        0.001      194.0
 70:                  (ns/day)    (hour/ns)
-70: Performance:      642.785        0.037
+70: Performance:      652.037        0.037
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_17_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_17_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_17_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/17 (27 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/17 (25 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/18
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_18_input.mdp]:
@@ -280148,9 +280058,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.005        0.002      196.1
+70:        Time:        0.005        0.002      196.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:      596.552        0.040
+70: Performance:      632.440        0.038
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_18_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -280169,9 +280079,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.001      193.2
+70:        Time:        0.002        0.001      194.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:      580.336        0.041
+70: Performance:      630.483        0.038
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_18_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -280190,13 +280100,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.001      193.8
+70:        Time:        0.002        0.001      194.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:      587.656        0.041
+70: Performance:      620.055        0.039
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_18_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_18_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_18_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/18 (27 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/18 (25 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/19
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_19_input.mdp]:
@@ -280346,9 +280256,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.005        0.002      196.2
+70:        Time:        0.005        0.002      196.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:      606.179        0.040
+70: Performance:      628.311        0.038
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_19_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -280367,9 +280277,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.001      193.9
+70:        Time:        0.002        0.001      194.0
 70:                  (ns/day)    (hour/ns)
-70: Performance:      597.233        0.040
+70: Performance:      636.513        0.038
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_19_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -280388,13 +280298,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.001      193.6
+70:        Time:        0.002        0.001      194.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:      583.347        0.041
+70: Performance:      607.354        0.040
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_19_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_19_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_19_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/19 (27 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/19 (25 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/20
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_20_input.mdp]:
@@ -280527,9 +280437,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.005        0.002      196.1
+70:        Time:        0.004        0.002      196.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:      627.735        0.038
+70: Performance:      730.188        0.033
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_20_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Update groups can not be used for this system because an incompatible virtual site type is used
 70: 
@@ -280547,9 +280457,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      193.7
+70:        Time:        0.002        0.001      193.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:      617.239        0.039
+70: Performance:      718.548        0.033
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_20_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Update groups can not be used for this system because an incompatible virtual site type is used
 70: 
@@ -280567,13 +280477,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.001      194.0
+70:        Time:        0.002        0.001      193.0
 70:                  (ns/day)    (hour/ns)
-70: Performance:      599.539        0.040
+70: Performance:      684.756        0.035
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_20_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_20_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_20_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/20 (43 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/20 (41 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/21
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_21_input.mdp]:
@@ -280708,9 +280618,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.004        0.002      196.1
+70:        Time:        0.004        0.002      196.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:      642.465        0.037
+70: Performance:      706.409        0.034
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_21_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 80, rlist from 0.741 to 0.841
 70: 
@@ -280730,9 +280640,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      193.6
+70:        Time:        0.002        0.001      193.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:      622.184        0.039
+70: Performance:      694.082        0.035
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_21_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 80, rlist from 0.741 to 0.841
 70: 
@@ -280752,13 +280662,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      193.8
+70:        Time:        0.002        0.001      193.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:      620.763        0.039
+70: Performance:      663.714        0.036
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_21_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_21_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_21_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/21 (96 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/21 (94 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/22
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_22_input.mdp]:
@@ -280895,9 +280805,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.006        0.003      196.9
+70:        Time:        0.005        0.002      196.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:      507.045        0.047
+70: Performance:      590.039        0.041
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_22_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Update groups can not be used for this system because an incompatible virtual site type is used
 70: 
@@ -280915,9 +280825,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.002      194.7
+70:        Time:        0.002        0.001      194.4
 70:                  (ns/day)    (hour/ns)
-70: Performance:      481.685        0.050
+70: Performance:      609.283        0.039
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_22_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Update groups can not be used for this system because an incompatible virtual site type is used
 70: 
@@ -280935,13 +280845,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.002      195.0
+70:        Time:        0.003        0.001      194.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:      485.630        0.049
+70: Performance:      592.460        0.041
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_22_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_22_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_22_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/22 (42 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/22 (39 ms)
 70: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/23
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_23_input.mdp]:
@@ -281080,9 +280990,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.005        0.003      196.6
+70:        Time:        0.005        0.003      197.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:      542.210        0.044
+70: Performance:      570.003        0.042
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_23_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 25, rlist from 0.724 to 0.793
 70: 
@@ -281102,9 +281012,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.002      194.7
+70:        Time:        0.003        0.001      195.0
 70:                  (ns/day)    (hour/ns)
-70: Performance:      518.355        0.046
+70: Performance:      556.663        0.043
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_23_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 25, rlist from 0.724 to 0.793
 70: 
@@ -281124,14 +281034,14 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.002      194.7
+70:        Time:        0.003        0.001      194.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:      499.616        0.048
+70: Performance:      528.862        0.045
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_23_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_23_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_23_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/23 (55 ms)
-70: [----------] 24 tests from NormalIntegrators/MdrunNoAppendContinuationIsExact (537 ms total)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/23 (53 ms)
+70: [----------] 24 tests from NormalIntegrators/MdrunNoAppendContinuationIsExact (505 ms total)
 70: 
 70: [----------] 8 tests from NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact
 70: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -281249,9 +281159,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.002      194.1
+70:        Time:        0.003        0.002      194.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:      871.618        0.028
+70: Performance:      949.829        0.025
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -281268,9 +281178,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.002      194.3
+70:        Time:        0.003        0.001      193.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:      452.294        0.053
+70: Performance:      527.493        0.045
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -281287,13 +281197,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      191.4
+70:        Time:        0.002        0.001      189.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:      633.176        0.038
+70: Performance:      703.970        0.034
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (30 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (25 ms)
 70: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -281409,9 +281319,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.002      193.9
+70:        Time:        0.003        0.002      194.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:      875.084        0.027
+70: Performance:      888.590        0.027
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -281428,9 +281338,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.002      193.3
+70:        Time:        0.003        0.001      193.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:      480.055        0.050
+70: Performance:      526.302        0.046
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -281447,13 +281357,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      192.4
+70:        Time:        0.002        0.001      192.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:      641.899        0.037
+70: Performance:      699.290        0.034
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (27 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (25 ms)
 70: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/2
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]:
@@ -281569,9 +281479,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.004        0.002      197.0
+70:        Time:        0.004        0.002      197.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:      685.424        0.035
+70: Performance:      708.684        0.034
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -281588,9 +281498,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.004        0.002      196.3
+70:        Time:        0.004        0.002      197.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:      385.930        0.062
+70: Performance:      390.644        0.061
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -281607,13 +281517,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.002      191.9
+70:        Time:        0.003        0.001      193.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:      440.802        0.054
+70: Performance:      526.132        0.046
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (28 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (26 ms)
 70: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/3
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]:
@@ -281729,9 +281639,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.004        0.002      197.0
+70:        Time:        0.004        0.002      197.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:      666.731        0.036
+70: Performance:      719.359        0.033
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -281748,9 +281658,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.004        0.002      196.3
+70:        Time:        0.004        0.002      194.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:      409.941        0.059
+70: Performance:      424.563        0.057
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -281767,13 +281677,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.002      191.4
+70:        Time:        0.003        0.001      192.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:      461.445        0.052
+70: Performance:      546.039        0.044
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (28 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (26 ms)
 70: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/4
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]:
@@ -281872,9 +281782,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.002      194.7
+70:        Time:        0.003        0.002      195.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:      856.233        0.028
+70: Performance:      908.776        0.026
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -281890,9 +281800,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.002      192.7
+70:        Time:        0.002        0.001      193.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:      449.056        0.053
+70: Performance:      663.849        0.036
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -281910,11 +281820,11 @@
 70:                Core t (s)   Wall t (s)        (%)
 70:        Time:        0.002        0.001      192.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:      645.456        0.037
+70: Performance:      679.053        0.035
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (38 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (35 ms)
 70: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/5
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]:
@@ -282015,9 +281925,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.002      194.0
+70:        Time:        0.003        0.002      194.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:      916.619        0.026
+70: Performance:      923.212        0.026
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 100, rlist from 0.728 to 0.806
 70: 
@@ -282035,9 +281945,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.002      193.9
+70:        Time:        0.003        0.002      194.4
 70:                  (ns/day)    (hour/ns)
-70: Performance:      483.327        0.050
+70: Performance:      509.608        0.047
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 100, rlist from 0.728 to 0.806
 70: 
@@ -282055,13 +281965,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      192.6
+70:        Time:        0.002        0.001      192.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:      628.903        0.038
+70: Performance:      668.201        0.036
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (105 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (103 ms)
 70: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/6
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]:
@@ -282164,9 +282074,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.004        0.002      194.7
+70:        Time:        0.003        0.002      195.4
 70:                  (ns/day)    (hour/ns)
-70: Performance:      791.850        0.030
+70: Performance:      823.059        0.029
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -282182,9 +282092,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.002      194.3
+70:        Time:        0.003        0.002      194.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:      441.100        0.054
+70: Performance:      466.060        0.051
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -282200,13 +282110,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.001      193.2
+70:        Time:        0.003        0.001      193.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:      542.497        0.044
+70: Performance:      597.015        0.040
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_6_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (35 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (33 ms)
 70: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/7
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]:
@@ -282311,9 +282221,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.002      194.9
+70:        Time:        0.003        0.002      194.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:      820.100        0.029
+70: Performance:      863.191        0.028
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 20, rlist from 0.749 to 0.842
 70: 
@@ -282331,9 +282241,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.002      194.3
+70:        Time:        0.002        0.001      193.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:      458.139        0.052
+70: Performance:      663.984        0.036
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 20, rlist from 0.749 to 0.843
 70: 
@@ -282351,14 +282261,14 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.001      193.4
+70:        Time:        0.002        0.001      193.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:      584.078        0.041
+70: Performance:      631.582        0.038
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_7_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (39 ms)
-70: [----------] 8 tests from NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact (335 ms total)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (37 ms)
+70: [----------] 8 tests from NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact (314 ms total)
 70: 
 70: [----------] 8 tests from NVT/MdrunNoAppendContinuationIsExact
 70: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -282433,9 +282343,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      191.9
+70:        Time:        0.002        0.001      194.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1982.811        0.012
+70: Performance:     1353.679        0.018
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -282451,9 +282361,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      189.9
+70:        Time:        0.001        0.001      190.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1356.693        0.018
+70: Performance:     1436.780        0.017
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -282469,13 +282379,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      190.4
+70:        Time:        0.001        0.001      191.4
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1216.974        0.020
+70: Performance:     1355.002        0.018
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (11 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (10 ms)
 70: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -282550,9 +282460,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      191.6
+70:        Time:        0.001        0.001      192.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:     2112.686        0.011
+70: Performance:     2176.888        0.011
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 100, rlist from 0.702 to 0.738
 70: 
@@ -282570,9 +282480,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      190.3
+70:        Time:        0.001        0.001      191.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1308.259        0.018
+70: Performance:     1277.513        0.019
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 100, rlist from 0.702 to 0.738
 70: 
@@ -282592,11 +282502,11 @@
 70:                Core t (s)   Wall t (s)        (%)
 70:        Time:        0.001        0.001      190.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1313.000        0.018
+70: Performance:     1380.817        0.017
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (11 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (10 ms)
 70: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/2
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]:
@@ -282679,9 +282589,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      191.7
+70:        Time:        0.001        0.001      192.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:     2024.513        0.012
+70: Performance:     2167.697        0.011
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -282697,9 +282607,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      190.1
+70:        Time:        0.001        0.001      190.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1346.611        0.018
+70: Performance:     1477.794        0.016
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -282715,13 +282625,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      190.2
+70:        Time:        0.001        0.001      191.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1258.291        0.019
+70: Performance:     1338.322        0.018
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (11 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (10 ms)
 70: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/3
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]:
@@ -282806,9 +282716,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      191.6
+70:        Time:        0.001        0.001      192.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:     2062.469        0.012
+70: Performance:     2119.227        0.011
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 100, rlist from 0.702 to 0.738
 70: 
@@ -282825,13 +282735,10 @@
 70: 
 70: Writing final coordinates.
 70: 
-70: NOTE: 22 % of the run time was spent in pair search,
-70:       you might want to increase nstlist (this has no effect on accuracy)
-70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      191.6
+70:        Time:        0.001        0.001      190.0
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1079.249        0.022
+70: Performance:     1492.673        0.016
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 100, rlist from 0.702 to 0.738
 70: 
@@ -282849,13 +282756,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      190.0
+70:        Time:        0.001        0.001      191.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1278.515        0.019
+70: Performance:     1385.510        0.017
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (11 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (10 ms)
 70: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/4
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]:
@@ -282928,9 +282835,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      195.2
+70:        Time:        0.002        0.001      195.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1537.842        0.016
+70: Performance:     1621.209        0.015
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -282946,9 +282853,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      194.8
+70:        Time:        0.001        0.001      194.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:      851.342        0.028
+70: Performance:     1035.394        0.023
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -282964,13 +282871,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      191.0
+70:        Time:        0.001        0.001      192.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:      921.846        0.026
+70: Performance:      999.231        0.024
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (12 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (10 ms)
 70: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/5
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]:
@@ -283045,9 +282952,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      194.1
+70:        Time:        0.002        0.001      194.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1633.243        0.015
+70: Performance:     1679.093        0.014
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 100, rlist from 0.702 to 0.738
 70: 
@@ -283065,9 +282972,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      193.5
+70:        Time:        0.001        0.001      193.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1005.392        0.024
+70: Performance:     1122.716        0.021
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 100, rlist from 0.702 to 0.738
 70: 
@@ -283085,13 +282992,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      190.3
+70:        Time:        0.001        0.001      190.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:      961.808        0.025
+70: Performance:     1003.536        0.024
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (12 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (10 ms)
 70: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/6
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]:
@@ -283164,9 +283071,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      195.3
+70:        Time:        0.002        0.001      195.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1365.985        0.018
+70: Performance:     1359.654        0.018
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -283182,9 +283089,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      194.4
+70:        Time:        0.002        0.001      195.0
 70:                  (ns/day)    (hour/ns)
-70: Performance:      883.155        0.027
+70: Performance:      986.835        0.024
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -283200,13 +283107,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      190.7
+70:        Time:        0.002        0.001      191.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:      796.846        0.030
+70: Performance:      933.455        0.026
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (12 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (11 ms)
 70: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/7
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]:
@@ -283281,9 +283188,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      194.5
+70:        Time:        0.002        0.001      195.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1379.752        0.017
+70: Performance:     1495.653        0.016
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 100, rlist from 0.702 to 0.738
 70: 
@@ -283301,9 +283208,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      193.9
+70:        Time:        0.002        0.001      194.4
 70:                  (ns/day)    (hour/ns)
-70: Performance:      928.406        0.026
+70: Performance:      999.844        0.024
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Changing nstlist from 8 to 100, rlist from 0.702 to 0.738
 70: 
@@ -283321,14 +283228,14 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      190.9
+70:        Time:        0.002        0.001      191.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:      860.098        0.028
+70: Performance:      899.722        0.027
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (12 ms)
-70: [----------] 8 tests from NVT/MdrunNoAppendContinuationIsExact (96 ms total)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (11 ms)
+70: [----------] 8 tests from NVT/MdrunNoAppendContinuationIsExact (86 ms total)
 70: 
 70: [----------] 2 tests from NPH/MdrunNoAppendContinuationIsExact
 70: [ RUN      ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -283414,9 +283321,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      192.3
+70:        Time:        0.001        0.001      191.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1660.537        0.014
+70: Performance:     2048.751        0.012
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -283433,9 +283340,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      189.5
+70:        Time:        0.001        0.001      189.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1316.179        0.018
+70: Performance:     1415.578        0.017
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -283454,11 +283361,11 @@
 70:                Core t (s)   Wall t (s)        (%)
 70:        Time:        0.001        0.001      190.4
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1229.360        0.020
+70: Performance:     1333.398        0.018
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (11 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (10 ms)
 70: [ RUN      ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -283542,9 +283449,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      195.3
+70:        Time:        0.002        0.001      195.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1310.207        0.018
+70: Performance:     1569.978        0.015
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -283561,9 +283468,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      194.4
+70:        Time:        0.001        0.001      194.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:      963.798        0.025
+70: Performance:     1047.364        0.023
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -283580,14 +283487,14 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      190.9
+70:        Time:        0.002        0.001      191.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:      869.731        0.028
+70: Performance:      946.182        0.025
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (12 ms)
-70: [----------] 2 tests from NPH/MdrunNoAppendContinuationIsExact (24 ms total)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (11 ms)
+70: [----------] 2 tests from NPH/MdrunNoAppendContinuationIsExact (21 ms total)
 70: 
 70: [----------] 8 tests from NPT/MdrunNoAppendContinuationIsExact
 70: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -283662,9 +283569,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      187.9
+70:        Time:        0.001        0.001      192.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1894.984        0.013
+70: Performance:     2052.847        0.012
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -283682,7 +283589,7 @@
 70:                Core t (s)   Wall t (s)        (%)
 70:        Time:        0.001        0.001      189.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1291.680        0.019
+70: Performance:     1390.828        0.017
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -283698,13 +283605,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      190.1
+70:        Time:        0.001        0.001      191.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1191.195        0.020
+70: Performance:     1280.522        0.019
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (11 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (10 ms)
 70: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -283777,9 +283684,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      191.1
+70:        Time:        0.001        0.001      192.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1966.984        0.012
+70: Performance:     2092.593        0.011
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -283795,9 +283702,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      190.3
+70:        Time:        0.001        0.001      190.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1281.529        0.019
+70: Performance:     1416.807        0.017
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -283813,13 +283720,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      190.2
+70:        Time:        0.001        0.001      190.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1197.317        0.020
+70: Performance:     1294.756        0.019
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (11 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (10 ms)
 70: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/2
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]:
@@ -283902,9 +283809,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      190.8
+70:        Time:        0.001        0.001      192.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1919.188        0.013
+70: Performance:     2021.192        0.012
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -283920,9 +283827,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      189.6
+70:        Time:        0.001        0.001      189.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1271.536        0.019
+70: Performance:     1456.673        0.016
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -283938,13 +283845,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      190.0
+70:        Time:        0.001        0.001      190.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1190.325        0.020
+70: Performance:     1293.729        0.019
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (11 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (10 ms)
 70: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/3
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]:
@@ -284027,9 +283934,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      192.6
+70:        Time:        0.001        0.001      192.4
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1689.686        0.014
+70: Performance:     2067.313        0.012
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -284045,9 +283952,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      189.8
+70:        Time:        0.001        0.001      190.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1289.127        0.019
+70: Performance:     1392.015        0.017
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -284063,13 +283970,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      190.5
+70:        Time:        0.001        0.001      190.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1170.251        0.021
+70: Performance:     1369.224        0.018
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (11 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (10 ms)
 70: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/4
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]:
@@ -284142,9 +284049,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      195.3
+70:        Time:        0.002        0.001      195.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1399.181        0.017
+70: Performance:     1488.426        0.016
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -284160,9 +284067,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      193.9
+70:        Time:        0.001        0.001      194.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:      909.507        0.026
+70: Performance:     1018.897        0.024
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -284178,13 +284085,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      189.9
+70:        Time:        0.002        0.001      191.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:      867.418        0.028
+70: Performance:      963.513        0.025
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (12 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (10 ms)
 70: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/5
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]:
@@ -284257,9 +284164,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      195.0
+70:        Time:        0.002        0.001      195.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1413.953        0.017
+70: Performance:     1575.197        0.015
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -284275,9 +284182,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      194.2
+70:        Time:        0.001        0.001      194.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:      934.257        0.026
+70: Performance:     1042.343        0.023
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -284293,13 +284200,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      190.0
+70:        Time:        0.002        0.001      191.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:      815.985        0.029
+70: Performance:      944.265        0.025
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (12 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (11 ms)
 70: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/6
 70: [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (0 ms)
 70: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/7
@@ -284374,9 +284281,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      195.3
+70:        Time:        0.002        0.001      195.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1238.310        0.019
+70: Performance:     1323.436        0.018
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -284392,9 +284299,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      194.5
+70:        Time:        0.002        0.001      194.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:      848.904        0.028
+70: Performance:      991.335        0.024
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -284410,14 +284317,14 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      190.8
+70:        Time:        0.002        0.001      192.0
 70:                  (ns/day)    (hour/ns)
-70: Performance:      805.903        0.030
+70: Performance:      888.690        0.027
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_7_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (12 ms)
-70: [----------] 8 tests from NPT/MdrunNoAppendContinuationIsExact (84 ms total)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (11 ms)
+70: [----------] 8 tests from NPT/MdrunNoAppendContinuationIsExact (74 ms total)
 70: 
 70: [----------] 1 test from MTTK/MdrunNoAppendContinuationIsExact
 70: [ RUN      ] MTTK/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -284500,9 +284407,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.001      195.4
+70:        Time:        0.003        0.001      196.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1003.354        0.024
+70: Performance:      979.738        0.024
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -284520,7 +284427,7 @@
 70:                Core t (s)   Wall t (s)        (%)
 70:        Time:        0.002        0.001      194.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:      696.751        0.034
+70: Performance:      820.707        0.029
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -284536,14 +284443,14 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      190.7
+70:        Time:        0.002        0.001      191.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:      644.946        0.037
+70: Performance:      757.605        0.032
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] MTTK/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (13 ms)
-70: [----------] 1 test from MTTK/MdrunNoAppendContinuationIsExact (14 ms total)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] MTTK/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (12 ms)
+70: [----------] 1 test from MTTK/MdrunNoAppendContinuationIsExact (12 ms total)
 70: 
 70: [----------] 2 tests from Pull/MdrunNoAppendContinuationIsExact
 70: [ RUN      ] Pull/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -284647,9 +284554,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      191.2
+70:        Time:        0.001        0.001      190.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1661.881        0.014
+70: Performance:     1905.535        0.013
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -284666,9 +284573,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      189.3
+70:        Time:        0.001        0.001      188.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1061.338        0.023
+70: Performance:     1249.135        0.019
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -284685,13 +284592,13 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      189.3
+70:        Time:        0.001        0.001      189.4
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1069.692        0.022
+70: Performance:     1174.043        0.020
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Pull/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (13 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Pull/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (11 ms)
 70: [ RUN      ] Pull/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -284793,9 +284700,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      194.4
+70:        Time:        0.002        0.001      194.9
 70:                  (ns/day)    (hour/ns)
-70: Performance:     1304.934        0.018
+70: Performance:     1497.107        0.016
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -284814,7 +284721,7 @@
 70:                Core t (s)   Wall t (s)        (%)
 70:        Time:        0.002        0.001      193.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:      835.209        0.029
+70: Performance:      974.452        0.025
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Can not increase nstlist because an NVE ensemble is used
 70: Using 1 MPI process
@@ -284831,18 +284738,18 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      191.7
+70:        Time:        0.002        0.001      192.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:      794.323        0.030
+70: Performance:      874.160        0.027
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Pull_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Pull/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (14 ms)
-70: [----------] 2 tests from Pull/MdrunNoAppendContinuationIsExact (27 ms total)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Pull/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (12 ms)
+70: [----------] 2 tests from Pull/MdrunNoAppendContinuationIsExact (24 ms total)
 70: 
 70: [----------] 2 tests from Awh/MdrunNoAppendContinuationIsExact
 70: [ RUN      ] Awh/MdrunNoAppendContinuationIsExact.WithinTolerances/0
-70: Setting the AWH bias MC random seed to 988704718
+70: Setting the AWH bias MC random seed to 1325391855
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]:
 70:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -284873,7 +284780,7 @@
 70:        3         1         0     158.667 deg          0.000 deg
 70: 
 70: There were 3 NOTEs
-70: Setting the AWH bias MC random seed to -1821559330
+70: Setting the AWH bias MC random seed to -20219002
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]:
 70:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -284957,9 +284864,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.004        0.002      193.3
+70:        Time:        0.003        0.002      192.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:      674.986        0.036
+70: Performance:      958.847        0.025
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -284975,9 +284882,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.002        0.001      189.8
+70:        Time:        0.002        0.001      190.7
 70:                  (ns/day)    (hour/ns)
-70: Performance:      593.862        0.040
+70: Performance:      600.090        0.040
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -284993,15 +284900,15 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.001      189.9
+70:        Time:        0.002        0.001      189.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:      555.715        0.043
+70: Performance:      628.176        0.038
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Awh/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (34 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Awh/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (30 ms)
 70: [ RUN      ] Awh/MdrunNoAppendContinuationIsExact.WithinTolerances/1
-70: Setting the AWH bias MC random seed to -67111443
+70: Setting the AWH bias MC random seed to 1474164735
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
 70:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -285032,7 +284939,7 @@
 70:        3         1         0     158.667 deg          0.000 deg
 70: 
 70: There were 3 NOTEs
-70: Setting the AWH bias MC random seed to -1140922437
+70: Setting the AWH bias MC random seed to -27329797
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
 70:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -285116,9 +285023,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.004        0.002      192.3
+70:        Time:        0.006        0.003      191.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:      758.974        0.032
+70: Performance:      472.112        0.051
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -285134,9 +285041,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.001      189.6
+70:        Time:        0.005        0.003      191.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:      567.216        0.042
+70: Performance:      276.210        0.087
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -285152,14 +285059,14 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.003        0.002      190.8
+70:        Time:        0.005        0.003      191.1
 70:                  (ns/day)    (hour/ns)
-70: Performance:      504.250        0.048
+70: Performance:      307.949        0.078
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Awh_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Awh/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (33 ms)
-70: [----------] 2 tests from Awh/MdrunNoAppendContinuationIsExact (67 ms total)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] Awh/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (46 ms)
+70: [----------] 2 tests from Awh/MdrunNoAppendContinuationIsExact (77 ms total)
 70: 
 70: [----------] 1 test from ExpandedEnsemble/MdrunNoAppendContinuationIsExact
 70: [ RUN      ] ExpandedEnsemble/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -285256,9 +285163,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.007        0.003      197.7
+70:        Time:        0.008        0.004      198.0
 70:                  (ns/day)    (hour/ns)
-70: Performance:      443.431        0.054
+70: Performance:      374.732        0.064
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsemble_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -285274,9 +285181,9 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.005        0.003      197.3
+70:        Time:        0.005        0.003      197.5
 70:                  (ns/day)    (hour/ns)
-70: Performance:      288.219        0.083
+70: Performance:      279.596        0.086
 70: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsemble_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 70: Using 1 MPI process
 70: Using 2 OpenMP threads 
@@ -285292,14 +285199,14 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.005        0.002      190.1
+70:        Time:        0.005        0.003      192.8
 70:                  (ns/day)    (hour/ns)
-70: Performance:      323.882        0.074
+70: Performance:      287.331        0.084
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsemble_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsemble_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsemble_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] ExpandedEnsemble/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (40 ms)
-70: [----------] 1 test from ExpandedEnsemble/MdrunNoAppendContinuationIsExact (40 ms total)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] ExpandedEnsemble/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (58 ms)
+70: [----------] 1 test from ExpandedEnsemble/MdrunNoAppendContinuationIsExact (58 ms total)
 70: 
 70: [----------] 3 tests from Checking/InitialConstraintsTest
 70: [ RUN      ] Checking/InitialConstraintsTest.Works/0
@@ -285330,7 +285237,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'spc-and-methanol'
 70: 1 steps,      0.0 ps.
-70: Setting the LD random seed to -151014018
+70: Setting the LD random seed to 1476386253
 70: 
 70: Generated 8 of the 10 non-bonded parameter combinations
 70: 
@@ -285357,11 +285264,11 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.000      186.4
+70:        Time:        0.001        0.001      186.6
 70:                  (ns/day)    (hour/ns)
-70: Performance:      357.737        0.067
+70: Performance:      317.466        0.076
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_0_spc-and-methanol.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/0 (4 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/0 (5 ms)
 70: [ RUN      ] Checking/InitialConstraintsTest.Works/1
 70: Number of degrees of freedom in T-Coupling group rest is 11.00
 70: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
@@ -285390,7 +285297,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'spc-and-methanol'
 70: 1 steps,      0.0 ps.
-70: Setting the LD random seed to -17602841
+70: Setting the LD random seed to -604541717
 70: 
 70: Generated 8 of the 10 non-bonded parameter combinations
 70: 
@@ -285417,11 +285324,11 @@
 70: Writing final coordinates.
 70: 
 70:                Core t (s)   Wall t (s)        (%)
-70:        Time:        0.001        0.001      192.0
+70:        Time:        0.001        0.001      192.3
 70:                  (ns/day)    (hour/ns)
-70: Performance:      256.286        0.094
+70: Performance:      244.032        0.098
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_1_spc-and-methanol.edr as single precision energy file
-70: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/1 (4 ms)
+70: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/1 (5 ms)
 70: [ RUN      ] Checking/InitialConstraintsTest.Works/2
 70: 
 70: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_2_input.mdp]:
@@ -285456,7 +285363,7 @@
 70:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 70: starting mdrun 'spc-and-methanol'
 70: 1 steps,      0.0 ps.
-70: Setting the LD random seed to -26247214
+70: Setting the LD random seed to -545300482
 70: 
 70: Generated 8 of the 10 non-bonded parameter combinations
 70: 
@@ -285485,15 +285392,15 @@
 70:                Core t (s)   Wall t (s)        (%)
 70:        Time:        0.001        0.000      186.2
 70:                  (ns/day)    (hour/ns)
-70: Performance:      357.561        0.067
+70: Performance:      346.783        0.069
 70: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_2_spc-and-methanol.edr as single precision energy file
 70: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/2 (4 ms)
-70: [----------] 3 tests from Checking/InitialConstraintsTest (14 ms total)
+70: [----------] 3 tests from Checking/InitialConstraintsTest (15 ms total)
 70: 
 70: [----------] Global test environment tear-down
-70: [==========] 76 tests from 13 test suites ran. (1402 ms total)
+70: [==========] 76 tests from 13 test suites ran. (1345 ms total)
 70: [  PASSED  ] 76 tests.
-70/96 Test #70: MdrunIOTests .................................   Passed    1.50 sec
+70/96 Test #70: MdrunIOTests .................................   Passed    1.44 sec
 test 71
       Start 71: MdrunTestsOneRank
 
@@ -285504,7 +285411,7 @@
 71: [----------] Global test environment set-up.
 71: [----------] 1 test from CompelTest
 71: [ RUN      ] CompelTest.SwapCanRun
-71: Setting the LD random seed to 2013247455
+71: Setting the LD random seed to -319162138
 71: 
 71: Generated 330891 of the 330891 non-bonded parameter combinations
 71: Generating 1-4 interactions: fudge = 0.5
@@ -285545,14 +285452,6 @@
 71: 
 71: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300 K
 71: 
-71: Calculated rlist for 1x1 atom pair-list as 1.316 nm, buffer size 0.316 nm
-71: 
-71: Set rlist, assuming 4x4 atom pair-list, to 1.262 nm, buffer size 0.262 nm
-71: 
-71: Note that mdrun will redetermine rlist based on the actual pair-list setup
-71: 
-71: This run will generate roughly 1 Mb of data
-71: 
 71: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/CompelTest_SwapCanRun_input.mdp]:
 71:   Removing center of mass motion in the presence of position restraints
 71:   might cause artifacts. When you are using position restraints to
@@ -285566,6 +285465,14 @@
 71: 
 71: 
 71: There were 2 NOTEs
+71: 
+71: Calculated rlist for 1x1 atom pair-list as 1.316 nm, buffer size 0.316 nm
+71: 
+71: Set rlist, assuming 4x4 atom pair-list, to 1.262 nm, buffer size 0.262 nm
+71: 
+71: Note that mdrun will redetermine rlist based on the actual pair-list setup
+71: 
+71: This run will generate roughly 1 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/CompelTest_SwapCanRun.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Update groups can not be used for this system because there are three or more consecutively coupled constraints
 71: 
@@ -285592,9 +285499,9 @@
 71:       you might want to increase nstlist (this has no effect on accuracy)
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.289        0.145      199.9
+71:        Time:        0.290        0.145      199.9
 71:                  (ns/day)    (hour/ns)
-71: Performance:        8.959        2.679
+71: Performance:        8.926        2.689
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/CompelTest_SwapCanRun.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Overriding nsteps with value passed on the command line: 2 steps, 0.01 ps
 71: 
@@ -285619,15 +285526,15 @@
 71: 
 71: Writing final coordinates.
 71: 
-71: NOTE: 26 % of the run time was spent in pair search,
+71: NOTE: 29 % of the run time was spent in pair search,
 71:       you might want to increase nstlist (this has no effect on accuracy)
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.186        0.093      199.8
+71:        Time:        0.243        0.122      199.9
 71:                  (ns/day)    (hour/ns)
-71: Performance:       13.931        1.723
-71: [       OK ] CompelTest.SwapCanRun (561 ms)
-71: [----------] 1 test from CompelTest (561 ms total)
+71: Performance:       10.646        2.254
+71: [       OK ] CompelTest.SwapCanRun (537 ms)
+71: [----------] 1 test from CompelTest (537 ms total)
 71: 
 71: [----------] 6 tests from BondedInteractionsTest
 71: [ RUN      ] BondedInteractionsTest.NormalBondWorks
@@ -285636,7 +285543,7 @@
 71:   For a correct single-point energy evaluation with nsteps = 0, use
 71:   continuation = yes to avoid constraining the input coordinates.
 71: 
-71: Setting the LD random seed to -138576978
+71: Setting the LD random seed to -82856585
 71: 
 71: Generated 3 of the 3 non-bonded parameter combinations
 71: 
@@ -285644,6 +285551,8 @@
 71: 
 71: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 71: 
+71: This run will generate roughly 0 Mb of data
+71: 
 71: NOTE 2 [file BondedInteractionsTest_NormalBondWorks_butane1.top, line 31]:
 71:   In moleculetype 'butane' 2 atoms are not bound by a potential or
 71:   constraint to any other atom in the same moleculetype. Although
@@ -285661,8 +285570,6 @@
 71: 
 71: 
 71: There were 3 NOTEs
-71: 
-71: This run will generate roughly 0 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalBondWorks.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Can not increase nstlist because an NVE ensemble is used
 71: Using 1 MPI process
@@ -285678,13 +285585,13 @@
 71: Reading frames from gro file 'A single butane', 4 atoms.
 71: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 71: 
-71: NOTE: 20 % of the run time was spent in pair search,
+71: NOTE: 19 % of the run time was spent in pair search,
 71:       you might want to increase nstlist (this has no effect on accuracy)
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.000        0.000      185.5
+71:        Time:        0.000        0.000      186.9
 71:                  (ns/day)    (hour/ns)
-71: Performance:      485.124        0.049
+71: Performance:      448.500        0.054
 71: [       OK ] BondedInteractionsTest.NormalBondWorks (4 ms)
 71: [ RUN      ] BondedInteractionsTest.TabulatedBondWorks
 71: 
@@ -285692,16 +285599,12 @@
 71:   For a correct single-point energy evaluation with nsteps = 0, use
 71:   continuation = yes to avoid constraining the input coordinates.
 71: 
-71: Setting the LD random seed to -1346400641
+71: Setting the LD random seed to -67503201
 71: 
 71: Generated 3 of the 3 non-bonded parameter combinations
 71: 
 71: Excluding 3 bonded neighbours molecule type 'butane'
 71: 
-71: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
-71: 
-71: This run will generate roughly 0 Mb of data
-71: 
 71: NOTE 2 [file BondedInteractionsTest_TabulatedBondWorks_butane1.top, line 31]:
 71:   In moleculetype 'butane' 2 atoms are not bound by a potential or
 71:   constraint to any other atom in the same moleculetype. Although
@@ -285718,7 +285621,11 @@
 71:   buffer of 10%. Check your energy drift!
 71: 
 71: 
+71: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
+71: 
 71: There were 3 NOTEs
+71: 
+71: This run will generate roughly 0 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedBondWorks.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Can not increase nstlist because an NVE ensemble is used
 71: Using 1 MPI process
@@ -285738,9 +285645,9 @@
 71:       you might want to increase nstlist (this has no effect on accuracy)
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.000        0.000      184.8
+71:        Time:        0.000        0.000      185.4
 71:                  (ns/day)    (hour/ns)
-71: Performance:      466.995        0.051
+71: Performance:      481.899        0.050
 71: [       OK ] BondedInteractionsTest.TabulatedBondWorks (5 ms)
 71: [ RUN      ] BondedInteractionsTest.NormalAngleWorks
 71: 
@@ -285748,15 +285655,6 @@
 71:   For a correct single-point energy evaluation with nsteps = 0, use
 71:   continuation = yes to avoid constraining the input coordinates.
 71: 
-71: Setting the LD random seed to -2359442
-71: 
-71: Generated 3 of the 3 non-bonded parameter combinations
-71: 
-71: Excluding 3 bonded neighbours molecule type 'butane'
-71: 
-71: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
-71: 
-71: This run will generate roughly 0 Mb of data
 71: 
 71: NOTE 2 [file BondedInteractionsTest_NormalAngleWorks_butane1.top, line 31]:
 71:   In moleculetype 'butane' 4 atoms are not bound by a potential or
@@ -285775,6 +285673,15 @@
 71: 
 71: 
 71: There were 3 NOTEs
+71: Setting the LD random seed to -306184229
+71: 
+71: Generated 3 of the 3 non-bonded parameter combinations
+71: 
+71: Excluding 3 bonded neighbours molecule type 'butane'
+71: 
+71: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
+71: 
+71: This run will generate roughly 0 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalAngleWorks.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Can not increase nstlist because an NVE ensemble is used
 71: Using 1 MPI process
@@ -285794,17 +285701,17 @@
 71:       you might want to increase nstlist (this has no effect on accuracy)
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.000        0.000      185.7
+71:        Time:        0.000        0.000      186.1
 71:                  (ns/day)    (hour/ns)
-71: Performance:      478.716        0.050
-71: [       OK ] BondedInteractionsTest.NormalAngleWorks (4 ms)
+71: Performance:      473.710        0.051
+71: [       OK ] BondedInteractionsTest.NormalAngleWorks (3 ms)
 71: [ RUN      ] BondedInteractionsTest.TabulatedAngleWorks
 71: 
 71: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedAngleWorks_input.mdp]:
 71:   For a correct single-point energy evaluation with nsteps = 0, use
 71:   continuation = yes to avoid constraining the input coordinates.
 71: 
-71: Setting the LD random seed to 2105464703
+71: Setting the LD random seed to -73696137
 71: 
 71: Generated 3 of the 3 non-bonded parameter combinations
 71: 
@@ -285812,6 +285719,8 @@
 71: 
 71: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 71: 
+71: This run will generate roughly 0 Mb of data
+71: 
 71: NOTE 2 [file BondedInteractionsTest_TabulatedAngleWorks_butane1.top, line 31]:
 71:   In moleculetype 'butane' 4 atoms are not bound by a potential or
 71:   constraint to any other atom in the same moleculetype. Although
@@ -285829,8 +285738,6 @@
 71: 
 71: 
 71: There were 3 NOTEs
-71: 
-71: This run will generate roughly 0 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedAngleWorks.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Can not increase nstlist because an NVE ensemble is used
 71: Using 1 MPI process
@@ -285846,21 +285753,21 @@
 71: Reading frames from gro file 'A single butane', 4 atoms.
 71: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 71: 
-71: NOTE: 17 % of the run time was spent in pair search,
+71: NOTE: 18 % of the run time was spent in pair search,
 71:       you might want to increase nstlist (this has no effect on accuracy)
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.000        0.000      186.0
+71:        Time:        0.000        0.000      185.5
 71:                  (ns/day)    (hour/ns)
-71: Performance:      421.872        0.057
-71: [       OK ] BondedInteractionsTest.TabulatedAngleWorks (5 ms)
+71: Performance:      504.017        0.048
+71: [       OK ] BondedInteractionsTest.TabulatedAngleWorks (4 ms)
 71: [ RUN      ] BondedInteractionsTest.NormalDihedralWorks
 71: 
 71: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalDihedralWorks_input.mdp]:
 71:   For a correct single-point energy evaluation with nsteps = 0, use
 71:   continuation = yes to avoid constraining the input coordinates.
 71: 
-71: Setting the LD random seed to -2165060
+71: Setting the LD random seed to -1075905029
 71: 
 71: Generated 3 of the 3 non-bonded parameter combinations
 71: 
@@ -285868,8 +285775,6 @@
 71: 
 71: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 71: 
-71: This run will generate roughly 0 Mb of data
-71: 
 71: NOTE 2 [file BondedInteractionsTest_NormalDihedralWorks_butane1.top, line 31]:
 71:   In moleculetype 'butane' 4 atoms are not bound by a potential or
 71:   constraint to any other atom in the same moleculetype. Although
@@ -285887,6 +285792,8 @@
 71: 
 71: 
 71: There were 3 NOTEs
+71: 
+71: This run will generate roughly 0 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalDihedralWorks.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Can not increase nstlist because an NVE ensemble is used
 71: Using 1 MPI process
@@ -285902,27 +285809,20 @@
 71: Reading frames from gro file 'A single butane', 4 atoms.
 71: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 71: 
-71: NOTE: 18 % of the run time was spent in pair search,
+71: NOTE: 19 % of the run time was spent in pair search,
 71:       you might want to increase nstlist (this has no effect on accuracy)
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.000        0.000      184.7
+71:        Time:        0.000        0.000      185.7
 71:                  (ns/day)    (hour/ns)
-71: Performance:      495.065        0.048
-71: [       OK ] BondedInteractionsTest.NormalDihedralWorks (4 ms)
+71: Performance:      481.259        0.050
+71: [       OK ] BondedInteractionsTest.NormalDihedralWorks (3 ms)
 71: [ RUN      ] BondedInteractionsTest.TabulatedDihedralWorks
 71: 
 71: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedDihedralWorks_input.mdp]:
 71:   For a correct single-point energy evaluation with nsteps = 0, use
 71:   continuation = yes to avoid constraining the input coordinates.
 71: 
-71: Setting the LD random seed to -403718402
-71: 
-71: Generated 3 of the 3 non-bonded parameter combinations
-71: 
-71: Excluding 3 bonded neighbours molecule type 'butane'
-71: 
-71: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 71: 
 71: NOTE 2 [file BondedInteractionsTest_TabulatedDihedralWorks_butane1.top, line 31]:
 71:   In moleculetype 'butane' 4 atoms are not bound by a potential or
@@ -285932,6 +285832,13 @@
 71:   molecules in the same moleculetype definition by mistake. Run with -v to
 71:   get information for each atom.
 71: 
+71: Setting the LD random seed to -1074888751
+71: 
+71: Generated 3 of the 3 non-bonded parameter combinations
+71: 
+71: Excluding 3 bonded neighbours molecule type 'butane'
+71: 
+71: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 71: Number of degrees of freedom in T-Coupling group rest is 9.00
 71: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
 71: 
@@ -285958,15 +285865,15 @@
 71: Reading frames from gro file 'A single butane', 4 atoms.
 71: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 71: 
-71: NOTE: 18 % of the run time was spent in pair search,
+71: NOTE: 17 % of the run time was spent in pair search,
 71:       you might want to increase nstlist (this has no effect on accuracy)
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.000        0.000      185.4
+71:        Time:        0.000        0.000      185.9
 71:                  (ns/day)    (hour/ns)
-71: Performance:      463.412        0.052
-71: [       OK ] BondedInteractionsTest.TabulatedDihedralWorks (5 ms)
-71: [----------] 6 tests from BondedInteractionsTest (30 ms total)
+71: Performance:      441.398        0.054
+71: [       OK ] BondedInteractionsTest.TabulatedDihedralWorks (4 ms)
+71: [----------] 6 tests from BondedInteractionsTest (27 ms total)
 71: 
 71: [----------] 2 tests from BoxDeformationTest
 71: [ RUN      ] BoxDeformationTest.flowDoesNotAffectEkin
@@ -285984,21 +285891,21 @@
 71:   For a correct single-point energy evaluation with nsteps = 0, use
 71:   continuation = yes to avoid constraining the input coordinates.
 71: 
-71: Setting the LD random seed to -1107494401
+71: Setting the LD random seed to 1945873726
 71: 
 71: Generated 1 of the 1 non-bonded parameter combinations
 71: 
 71: Excluding 1 bonded neighbours molecule type 'Argon'
 71: 
-71: Setting gen_seed to -1350583041
+71: Setting gen_seed to -1653084677
 71: 
 71: Velocities were taken from a Maxwell distribution at 0 K
+71: 
+71: This run will generate roughly 0 Mb of data
 71: Number of degrees of freedom in T-Coupling group rest is 33.00
 71: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
 71: 
 71: There were 3 NOTEs
-71: 
-71: This run will generate roughly 0 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_flowDoesNotAffectEkin.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Can not increase nstlist because an NVE ensemble is used
 71: Using 1 MPI process
@@ -286012,13 +285919,13 @@
 71: starting mdrun 'Argon'
 71: 0 steps,      0.0 ps.
 71: 
-71: NOTE: 24 % of the run time was spent in pair search,
+71: NOTE: 29 % of the run time was spent in pair search,
 71:       you might want to increase nstlist (this has no effect on accuracy)
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.000        0.000      160.9
+71:        Time:        0.000        0.000      163.1
 71:                  (ns/day)    (hour/ns)
-71: Performance:     1201.950        0.020
+71: Performance:     1152.267        0.021
 71: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_flowDoesNotAffectEkin.edr as single precision energy file
 71: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] BoxDeformationTest.flowDoesNotAffectEkin (4 ms)
 71: [ RUN      ] BoxDeformationTest.EnergiesWithinTolerances
@@ -286031,10 +285938,10 @@
 71: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_EnergiesWithinTolerances_input.mdp]:
 71:   Setting nstcalcenergy (100) equal to nstenergy (10)
 71: 
-71: Setting the LD random seed to -1610874881
+71: Setting the LD random seed to 1806693375
+71: Generating 1-4 interactions: fudge = 0.5
 71: 
 71: Generated 330891 of the 330891 non-bonded parameter combinations
-71: Generating 1-4 interactions: fudge = 0.5
 71: 
 71: Generated 330891 of the 330891 1-4 parameter combinations
 71: 
@@ -286044,14 +285951,14 @@
 71: Number of degrees of freedom in T-Coupling group rest is 1293.00
 71: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
 71: 
+71: There were 2 NOTEs
+71: 
 71: The largest distance between excluded atoms is 0.152 nm between atom 41 and 42
 71: Calculating fourier grid dimensions for X Y Z
 71: Using a fourier grid of 16x16x16, spacing 0.116 0.116 0.116
 71: 
 71: Estimate for the relative computational load of the PME mesh part: 0.23
 71: 
-71: 
-71: There were 2 NOTEs
 71: This run will generate roughly 0 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_EnergiesWithinTolerances.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Can not increase nstlist because an NVE ensemble is used
@@ -286068,17 +285975,17 @@
 71: 
 71: Writing final coordinates.
 71: 
-71: NOTE: 2 % of the run time was spent in domain decomposition,
+71: NOTE: 1 % of the run time was spent in domain decomposition,
 71:       11 % of the run time was spent in pair search,
 71:       you might want to increase nstlist (this has no effect on accuracy)
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.077        0.039      199.7
+71:        Time:        0.077        0.039      199.8
 71:                  (ns/day)    (hour/ns)
-71: Performance:       93.764        0.256
+71: Performance:       94.071        0.255
 71: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_EnergiesWithinTolerances.edr as single precision energy file
-71: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Reading energy frame      2 time    0.040         
Last energy frame read 2 time    0.040         [       OK ] BoxDeformationTest.EnergiesWithinTolerances (1331 ms)
-71: [----------] 2 tests from BoxDeformationTest (1335 ms total)
+71: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Reading energy frame      2 time    0.040         
Last energy frame read 2 time    0.040         [       OK ] BoxDeformationTest.EnergiesWithinTolerances (1337 ms)
+71: [----------] 2 tests from BoxDeformationTest (1341 ms total)
 71: 
 71: [----------] 1 test from PositionRestraintCommTest
 71: [ RUN      ] PositionRestraintCommTest.PositionRestraintsTwoCOMs
@@ -286092,7 +285999,7 @@
 71: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PositionRestraintCommTest_PositionRestraintsTwoCOMs_input.mdp]:
 71:   Setting nstcalcenergy (100) equal to nstenergy (10)
 71: 
-71: Setting the LD random seed to 1073610749
+71: Setting the LD random seed to 2012741487
 71: 
 71: Generated 330891 of the 330891 non-bonded parameter combinations
 71: Generating 1-4 interactions: fudge = 0.5
@@ -286166,16 +286073,16 @@
 71: 
 71: Writing final coordinates.
 71: 
-71: NOTE: 19 % of the run time was spent in pair search,
+71: NOTE: 14 % of the run time was spent in pair search,
 71:       you might want to increase nstlist (this has no effect on accuracy)
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.305        0.153      199.9
+71:        Time:        0.231        0.116      199.9
 71:                  (ns/day)    (hour/ns)
-71: Performance:       12.439        1.929
+71: Performance:       16.420        1.462
 71: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PositionRestraintCommTest_PositionRestraintsTwoCOMs.edr as single precision energy file
-71: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Last energy frame read 1 time    0.020         [       OK ] PositionRestraintCommTest.PositionRestraintsTwoCOMs (351 ms)
-71: [----------] 1 test from PositionRestraintCommTest (351 ms total)
+71: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Last energy frame read 1 time    0.020         [       OK ] PositionRestraintCommTest.PositionRestraintsTwoCOMs (309 ms)
+71: [----------] 1 test from PositionRestraintCommTest (309 ms total)
 71: 
 71: [----------] 2 tests from MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest
 71: [ RUN      ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/0
@@ -286184,7 +286091,7 @@
 71:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
 71:   < 0
 71: 
-71: Setting the LD random seed to -625030405
+71: Setting the LD random seed to 1321184703
 71: Generating 1-4 interactions: fudge = 0.5
 71: 
 71: Generated 2211 of the 2211 non-bonded parameter combinations
@@ -286195,12 +286102,12 @@
 71: 
 71: turning H bonds into constraints...
 71: 
+71: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/ala.gro'
+71: 
 71: NOTE 2 [file ala.top, line 256]:
 71:   For energy conservation with LINCS, lincs_iter should be 2 or larger.
 71: 
 71: 
-71: 
-71: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/ala.gro'
 71: Number of degrees of freedom in T-Coupling group rest is 54.00
 71: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
 71: 
@@ -286236,15 +286143,15 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.006        0.003      196.6
+71:        Time:        0.004        0.002      194.9
 71:                  (ns/day)    (hour/ns)
-71: Performance:      151.096        0.159
+71: Performance:      240.534        0.100
 71: 
 71: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_input.mdp]:
 71:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
 71:   < 0
 71: 
-71: Setting the LD random seed to -281018885
+71: Setting the LD random seed to -33587218
 71: Generating 1-4 interactions: fudge = 0.5
 71: 
 71: Generated 2211 of the 2211 non-bonded parameter combinations
@@ -286261,6 +286168,14 @@
 71: 
 71: 
 71: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/ala.gro'
+71: 
+71: The largest distance between excluded atoms is 0.384 nm between atom 5 and 15
+71: Calculating fourier grid dimensions for X Y Z
+71: Using a fourier grid of 24x24x24, spacing 0.104 0.104 0.104
+71: 
+71: Estimate for the relative computational load of the PME mesh part: 0.95
+71: 
+71: This run will generate roughly 0 Mb of data
 71: Number of degrees of freedom in T-Coupling group rest is 54.00
 71: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
 71: 
@@ -286272,14 +286187,6 @@
 71: 
 71: 
 71: There were 3 NOTEs
-71: 
-71: The largest distance between excluded atoms is 0.384 nm between atom 5 and 15
-71: Calculating fourier grid dimensions for X Y Z
-71: Using a fourier grid of 24x24x24, spacing 0.104 0.104 0.104
-71: 
-71: Estimate for the relative computational load of the PME mesh part: 0.95
-71: 
-71: This run will generate roughly 0 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Can not increase nstlist because an NVE ensemble is used
 71: Using 1 MPI process
@@ -286296,9 +286203,9 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.004        0.002      195.7
+71:        Time:        0.006        0.003      196.1
 71:                  (ns/day)    (hour/ns)
-71: Performance:      203.543        0.118
+71: Performance:      138.570        0.173
 71: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim1.edr as single precision energy file
 71: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
 71: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         trr version: GMX_trn_file (single precision)
@@ -286306,14 +286213,14 @@
 71: 
 71: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim1.edr as single precision energy file
 71: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
-71: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/0 (23423 ms)
+71: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/0 (23462 ms)
 71: [ RUN      ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/1
 71: 
 71: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_input.mdp]:
 71:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
 71:   < 0
 71: 
-71: Setting the LD random seed to -1208009731
+71: Setting the LD random seed to -65605
 71: Generating 1-4 interactions: fudge = 0.5
 71: 
 71: Generated 2211 of the 2211 non-bonded parameter combinations
@@ -286333,11 +286240,6 @@
 71: Number of degrees of freedom in T-Coupling group rest is 54.00
 71: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
 71: 
-71: The largest distance between excluded atoms is 0.384 nm between atom 5 and 15
-71: Calculating fourier grid dimensions for X Y Z
-71: Using a fourier grid of 24x24x24, spacing 0.104 0.104 0.104
-71: 
-71: 
 71: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_input.mdp]:
 71:   The optimal PME mesh load for parallel simulations is below 0.5
 71:   and for highly parallel simulations between 0.25 and 0.33,
@@ -286346,6 +286248,11 @@
 71: 
 71: 
 71: There were 3 NOTEs
+71: 
+71: The largest distance between excluded atoms is 0.384 nm between atom 5 and 15
+71: Calculating fourier grid dimensions for X Y Z
+71: Using a fourier grid of 24x24x24, spacing 0.104 0.104 0.104
+71: 
 71: Estimate for the relative computational load of the PME mesh part: 0.95
 71: 
 71: This run will generate roughly 0 Mb of data
@@ -286365,15 +286272,15 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.005        0.003      196.3
+71:        Time:        0.005        0.002      196.1
 71:                  (ns/day)    (hour/ns)
-71: Performance:      167.741        0.143
+71: Performance:      187.126        0.128
 71: 
 71: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_input.mdp]:
 71:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
 71:   < 0
 71: 
-71: Setting the LD random seed to 1048436735
+71: Setting the LD random seed to -570426563
 71: Generating 1-4 interactions: fudge = 0.5
 71: 
 71: Generated 2211 of the 2211 non-bonded parameter combinations
@@ -286390,6 +286297,14 @@
 71: 
 71: 
 71: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/ala.gro'
+71: 
+71: The largest distance between excluded atoms is 0.384 nm between atom 5 and 15
+71: Calculating fourier grid dimensions for X Y Z
+71: Using a fourier grid of 24x24x24, spacing 0.104 0.104 0.104
+71: 
+71: Estimate for the relative computational load of the PME mesh part: 0.95
+71: 
+71: This run will generate roughly 0 Mb of data
 71: Number of degrees of freedom in T-Coupling group rest is 54.00
 71: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
 71: 
@@ -286401,14 +286316,6 @@
 71: 
 71: 
 71: There were 3 NOTEs
-71: 
-71: The largest distance between excluded atoms is 0.384 nm between atom 5 and 15
-71: Calculating fourier grid dimensions for X Y Z
-71: Using a fourier grid of 24x24x24, spacing 0.104 0.104 0.104
-71: 
-71: Estimate for the relative computational load of the PME mesh part: 0.95
-71: 
-71: This run will generate roughly 0 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Multiple time stepping is only supported with GPUs when MTS is only applied to longrange-nonbonded forces.
 71: Can not increase nstlist because an NVE ensemble is used
@@ -286427,17 +286334,17 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.004        0.002      195.4
+71:        Time:        0.003        0.002      194.9
 71:                  (ns/day)    (hour/ns)
-71: Performance:      212.171        0.113
+71: Performance:      268.874        0.089
 71: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim1.edr as single precision energy file
 71: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim2.edr as single precision energy file
 71: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
 71: 
 71: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim1.edr as single precision energy file
 71: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim2.edr as single precision energy file
-71: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/1 (28 ms)
-71: [----------] 2 tests from MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest (23452 ms total)
+71: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/1 (27 ms)
+71: [----------] 2 tests from MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest (23490 ms total)
 71: 
 71: [----------] 1 test from MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest
 71: [ RUN      ] MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest.WithinTolerances/0
@@ -286446,8 +286353,8 @@
 71:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
 71:   < 0
 71: 
+71: Setting the LD random seed to -1258356996
 71: Generating 1-4 interactions: fudge = 0.5
-71: Setting the LD random seed to -940048962
 71: 
 71: Generated 3 of the 3 non-bonded parameter combinations
 71: 
@@ -286485,16 +286392,20 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.001        0.001      188.2
+71:        Time:        0.001        0.001      187.3
 71:                  (ns/day)    (hour/ns)
-71: Performance:      646.890        0.037
+71: Performance:      763.243        0.031
 71: 
 71: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_input.mdp]:
 71:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
 71:   < 0
 71: 
-71: Setting the LD random seed to -1445267731
 71: Generating 1-4 interactions: fudge = 0.5
+71: Pull group 1 'FirstWaterMolecule' has 3 atoms
+71: Pull group 2 'SecondWaterMolecule' has 3 atoms
+71: Number of degrees of freedom in T-Coupling group rest is 9.00
+71: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
+71: Setting the LD random seed to -1346492557
 71: 
 71: Generated 3 of the 3 non-bonded parameter combinations
 71: 
@@ -286505,10 +286416,6 @@
 71: turning H bonds into constraints...
 71: 
 71: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/spc2.gro'
-71: Pull group 1 'FirstWaterMolecule' has 3 atoms
-71: Pull group 2 'SecondWaterMolecule' has 3 atoms
-71: Number of degrees of freedom in T-Coupling group rest is 9.00
-71: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
 71: Pull group  natoms  pbc atom  distance at start  reference at t=0
 71:        1         3         2
 71:        2         3         5       1.112 nm          1.000 nm
@@ -286534,9 +286441,9 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.001        0.001      187.7
+71:        Time:        0.001        0.001      188.8
 71:                  (ns/day)    (hour/ns)
-71: Performance:      650.140        0.037
+71: Performance:      697.705        0.034
 71: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim1.edr as single precision energy file
 71: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
 71: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
@@ -286590,6 +286497,12 @@
 71: 
 71: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 246.451 K
 71: 
+71: Calculated rlist for 1x1 atom pair-list as 0.755 nm, buffer size 0.055 nm
+71: 
+71: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm
+71: 
+71: Note that mdrun will redetermine rlist based on the actual pair-list setup
+71: 
 71: NOTE 5 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_0_input.mdp]:
 71:   You are using a plain Coulomb cut-off, which might produce artifacts.
 71:   You might want to consider using PME electrostatics.
@@ -286600,12 +286513,6 @@
 71: 
 71: There was 1 WARNING
 71: 
-71: Calculated rlist for 1x1 atom pair-list as 0.755 nm, buffer size 0.055 nm
-71: 
-71: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm
-71: 
-71: Note that mdrun will redetermine rlist based on the actual pair-list setup
-71: 
 71: This run will generate roughly 0 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Can not increase nstlist because an NVE ensemble is used
@@ -286623,12 +286530,12 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.002        0.001      193.0
+71:        Time:        0.001        0.001      190.9
 71:                  (ns/day)    (hour/ns)
-71: Performance:      726.228        0.033
+71: Performance:     1058.582        0.023
 71: 
 71: 
-71: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/0 (9 ms)
+71: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/0 (8 ms)
 71: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/1
 71: 
 71: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_1_input.mdp]:
@@ -286704,9 +286611,9 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.002        0.001      191.8
+71:        Time:        0.002        0.001      192.7
 71:                  (ns/day)    (hour/ns)
-71: Performance:      819.676        0.029
+71: Performance:      791.432        0.030
 71: 
 71: 
 71: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/1 (9 ms)
@@ -286759,8 +286666,6 @@
 71: 
 71: Note that mdrun will redetermine rlist based on the actual pair-list setup
 71: 
-71: This run will generate roughly 0 Mb of data
-71: 
 71: NOTE 5 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_2_input.mdp]:
 71:   You are using a plain Coulomb cut-off, which might produce artifacts.
 71:   You might want to consider using PME electrostatics.
@@ -286770,6 +286675,8 @@
 71: There were 5 NOTEs
 71: 
 71: There was 1 WARNING
+71: 
+71: This run will generate roughly 0 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Can not increase nstlist because an NVE ensemble is used
 71: Using 1 MPI process
@@ -286786,9 +286693,9 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.002        0.001      191.2
+71:        Time:        0.001        0.001      190.7
 71:                  (ns/day)    (hour/ns)
-71: Performance:      852.454        0.028
+71: Performance:     1028.861        0.023
 71: 
 71: 
 71: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/2 (9 ms)
@@ -286835,6 +286742,14 @@
 71: 
 71: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 246.451 K
 71: 
+71: Calculated rlist for 1x1 atom pair-list as 0.755 nm, buffer size 0.055 nm
+71: 
+71: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm
+71: 
+71: Note that mdrun will redetermine rlist based on the actual pair-list setup
+71: 
+71: This run will generate roughly 0 Mb of data
+71: 
 71: NOTE 5 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_3_input.mdp]:
 71:   You are using a plain Coulomb cut-off, which might produce artifacts.
 71:   You might want to consider using PME electrostatics.
@@ -286844,14 +286759,6 @@
 71: There were 5 NOTEs
 71: 
 71: There was 1 WARNING
-71: 
-71: Calculated rlist for 1x1 atom pair-list as 0.755 nm, buffer size 0.055 nm
-71: 
-71: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm
-71: 
-71: Note that mdrun will redetermine rlist based on the actual pair-list setup
-71: 
-71: This run will generate roughly 0 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Can not increase nstlist because an NVE ensemble is used
 71: Using 1 MPI process
@@ -286868,9 +286775,9 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.002        0.001      192.0
+71:        Time:        0.002        0.001      191.8
 71:                  (ns/day)    (hour/ns)
-71: Performance:      819.470        0.029
+71: Performance:      967.801        0.025
 71: 
 71: 
 71: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/3 (9 ms)
@@ -286949,9 +286856,9 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.002        0.001      192.1
+71:        Time:        0.002        0.001      192.6
 71:                  (ns/day)    (hour/ns)
-71: Performance:      773.598        0.031
+71: Performance:      772.499        0.031
 71: 
 71: 
 71: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/4 (9 ms)
@@ -286975,6 +286882,13 @@
 71: 
 71: Generated 2145 of the 2145 1-4 parameter combinations
 71: 
+71: Excluding 3 bonded neighbours molecule type 'ALANINEDIPEPTIDE'
+71: 
+71: turning H bonds into constraints...
+71: 
+71: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/alanine_vacuo.gro'
+71: 
+71: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 71: 
 71: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_6_input.mdp]:
 71:   There are 5 atoms that are fully frozen and part of COMM removal
@@ -286988,13 +286902,12 @@
 71:   the COMM correction will be too small.
 71: 
 71: Number of degrees of freedom in T-Coupling group System is 33.00
-71: Excluding 3 bonded neighbours molecule type 'ALANINEDIPEPTIDE'
 71: 
-71: turning H bonds into constraints...
+71: Calculated rlist for 1x1 atom pair-list as 0.761 nm, buffer size 0.061 nm
 71: 
-71: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/alanine_vacuo.gro'
+71: Set rlist, assuming 4x4 atom pair-list, to 0.754 nm, buffer size 0.054 nm
 71: 
-71: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+71: Note that mdrun will redetermine rlist based on the actual pair-list setup
 71: 
 71: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_6_input.mdp]:
 71:   You are using a plain Coulomb cut-off, which might produce artifacts.
@@ -287006,12 +286919,6 @@
 71: 
 71: There was 1 WARNING
 71: 
-71: Calculated rlist for 1x1 atom pair-list as 0.761 nm, buffer size 0.061 nm
-71: 
-71: Set rlist, assuming 4x4 atom pair-list, to 0.754 nm, buffer size 0.054 nm
-71: 
-71: Note that mdrun will redetermine rlist based on the actual pair-list setup
-71: 
 71: This run will generate roughly 0 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Changing nstlist from 8 to 20, rlist from 0.754 to 0.856
@@ -287029,13 +286936,16 @@
 71: 
 71: Writing final coordinates.
 71: 
+71: NOTE: 28 % of the run time was spent in pair search,
+71:       you might want to increase nstlist (this has no effect on accuracy)
+71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.003        0.001      194.6
+71:        Time:        0.003        0.002      195.6
 71:                  (ns/day)    (hour/ns)
-71: Performance:      595.924        0.040
+71: Performance:      455.198        0.053
 71: 
 71: 
-71: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/6 (12 ms)
+71: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/6 (17 ms)
 71: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/7
 71: 
 71: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_7_input.mdp]:
@@ -287073,6 +286983,14 @@
 71: 
 71: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 71: 
+71: Calculated rlist for 1x1 atom pair-list as 0.761 nm, buffer size 0.061 nm
+71: 
+71: Set rlist, assuming 4x4 atom pair-list, to 0.754 nm, buffer size 0.054 nm
+71: 
+71: Note that mdrun will redetermine rlist based on the actual pair-list setup
+71: 
+71: This run will generate roughly 0 Mb of data
+71: 
 71: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_7_input.mdp]:
 71:   You are using a plain Coulomb cut-off, which might produce artifacts.
 71:   You might want to consider using PME electrostatics.
@@ -287082,14 +287000,6 @@
 71: There were 4 NOTEs
 71: 
 71: There was 1 WARNING
-71: 
-71: Calculated rlist for 1x1 atom pair-list as 0.761 nm, buffer size 0.061 nm
-71: 
-71: Set rlist, assuming 4x4 atom pair-list, to 0.754 nm, buffer size 0.054 nm
-71: 
-71: Note that mdrun will redetermine rlist based on the actual pair-list setup
-71: 
-71: This run will generate roughly 0 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Changing nstlist from 8 to 20, rlist from 0.754 to 0.856
 71: 
@@ -287107,9 +287017,9 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.002        0.001      193.0
+71:        Time:        0.002        0.001      191.5
 71:                  (ns/day)    (hour/ns)
-71: Performance:      717.758        0.033
+71: Performance:      919.507        0.026
 71: 
 71: 
 71: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/7 (11 ms)
@@ -287135,8 +287045,6 @@
 71: 
 71: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/alanine_vacuo.gro'
 71: 
-71: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-71: 
 71: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_8_input.mdp]:
 71:   There are 5 atoms that are fully frozen and part of COMM removal
 71:   group(s), removing these atoms from the COMM removal group(s)
@@ -287150,6 +287058,14 @@
 71: 
 71: Number of degrees of freedom in T-Coupling group System is 33.00
 71: 
+71: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+71: 
+71: Calculated rlist for 1x1 atom pair-list as 0.761 nm, buffer size 0.061 nm
+71: 
+71: Set rlist, assuming 4x4 atom pair-list, to 0.754 nm, buffer size 0.054 nm
+71: 
+71: Note that mdrun will redetermine rlist based on the actual pair-list setup
+71: 
 71: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_8_input.mdp]:
 71:   You are using a plain Coulomb cut-off, which might produce artifacts.
 71:   You might want to consider using PME electrostatics.
@@ -287160,12 +287076,6 @@
 71: 
 71: There was 1 WARNING
 71: 
-71: Calculated rlist for 1x1 atom pair-list as 0.761 nm, buffer size 0.061 nm
-71: 
-71: Set rlist, assuming 4x4 atom pair-list, to 0.754 nm, buffer size 0.054 nm
-71: 
-71: Note that mdrun will redetermine rlist based on the actual pair-list setup
-71: 
 71: This run will generate roughly 0 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_8.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Changing nstlist from 8 to 20, rlist from 0.754 to 0.856
@@ -287184,9 +287094,9 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.002        0.001      192.8
+71:        Time:        0.002        0.001      193.0
 71:                  (ns/day)    (hour/ns)
-71: Performance:      771.038        0.031
+71: Performance:      763.458        0.031
 71: 
 71: 
 71: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/8 (11 ms)
@@ -287225,6 +287135,14 @@
 71: 
 71: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 71: 
+71: Calculated rlist for 1x1 atom pair-list as 0.737 nm, buffer size 0.037 nm
+71: 
+71: Set rlist, assuming 4x4 atom pair-list, to 0.734 nm, buffer size 0.034 nm
+71: 
+71: Note that mdrun will redetermine rlist based on the actual pair-list setup
+71: 
+71: This run will generate roughly 0 Mb of data
+71: 
 71: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_9_input.mdp]:
 71:   You are using a plain Coulomb cut-off, which might produce artifacts.
 71:   You might want to consider using PME electrostatics.
@@ -287234,14 +287152,6 @@
 71: There were 4 NOTEs
 71: 
 71: There was 1 WARNING
-71: 
-71: Calculated rlist for 1x1 atom pair-list as 0.737 nm, buffer size 0.037 nm
-71: 
-71: Set rlist, assuming 4x4 atom pair-list, to 0.734 nm, buffer size 0.034 nm
-71: 
-71: Note that mdrun will redetermine rlist based on the actual pair-list setup
-71: 
-71: This run will generate roughly 0 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Changing nstlist from 8 to 100, rlist from 0.734 to 0.829
 71: 
@@ -287259,9 +287169,9 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.002        0.001      192.1
+71:        Time:        0.001        0.001      191.0
 71:                  (ns/day)    (hour/ns)
-71: Performance:      856.484        0.028
+71: Performance:     1007.877        0.024
 71: 
 71: 
 71: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/9 (24 ms)
@@ -287285,6 +287195,8 @@
 71: 
 71: turning H bonds into constraints...
 71: 
+71: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+71: 
 71: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_10_input.mdp]:
 71:   There are 5 atoms that are fully frozen and part of COMM removal
 71:   group(s), removing these atoms from the COMM removal group(s)
@@ -287298,14 +287210,14 @@
 71: 
 71: Number of degrees of freedom in T-Coupling group System is 33.00
 71: 
-71: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-71: 
 71: Calculated rlist for 1x1 atom pair-list as 0.737 nm, buffer size 0.037 nm
 71: 
 71: Set rlist, assuming 4x4 atom pair-list, to 0.734 nm, buffer size 0.034 nm
 71: 
 71: Note that mdrun will redetermine rlist based on the actual pair-list setup
 71: 
+71: This run will generate roughly 0 Mb of data
+71: 
 71: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_10_input.mdp]:
 71:   You are using a plain Coulomb cut-off, which might produce artifacts.
 71:   You might want to consider using PME electrostatics.
@@ -287315,8 +287227,6 @@
 71: There were 4 NOTEs
 71: 
 71: There was 1 WARNING
-71: 
-71: This run will generate roughly 0 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Changing nstlist from 8 to 100, rlist from 0.734 to 0.829
 71: 
@@ -287334,9 +287244,9 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.002        0.001      191.6
+71:        Time:        0.002        0.001      191.1
 71:                  (ns/day)    (hour/ns)
-71: Performance:      851.787        0.028
+71: Performance:      926.560        0.026
 71: 
 71: 
 71: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/10 (24 ms)
@@ -287375,6 +287285,14 @@
 71: 
 71: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 71: 
+71: Calculated rlist for 1x1 atom pair-list as 0.737 nm, buffer size 0.037 nm
+71: 
+71: Set rlist, assuming 4x4 atom pair-list, to 0.734 nm, buffer size 0.034 nm
+71: 
+71: Note that mdrun will redetermine rlist based on the actual pair-list setup
+71: 
+71: This run will generate roughly 0 Mb of data
+71: 
 71: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_11_input.mdp]:
 71:   You are using a plain Coulomb cut-off, which might produce artifacts.
 71:   You might want to consider using PME electrostatics.
@@ -287384,14 +287302,6 @@
 71: There were 4 NOTEs
 71: 
 71: There was 1 WARNING
-71: 
-71: Calculated rlist for 1x1 atom pair-list as 0.737 nm, buffer size 0.037 nm
-71: 
-71: Set rlist, assuming 4x4 atom pair-list, to 0.734 nm, buffer size 0.034 nm
-71: 
-71: Note that mdrun will redetermine rlist based on the actual pair-list setup
-71: 
-71: This run will generate roughly 0 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_11.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Changing nstlist from 8 to 100, rlist from 0.734 to 0.829
 71: 
@@ -287409,13 +287319,13 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.002        0.001      191.6
+71:        Time:        0.002        0.001      191.1
 71:                  (ns/day)    (hour/ns)
-71: Performance:      865.576        0.028
+71: Performance:      990.732        0.024
 71: 
 71: 
 71: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/11 (24 ms)
-71: [----------] 12 tests from FreezeWorks/FreezeGroupTest (156 ms total)
+71: [----------] 12 tests from FreezeWorks/FreezeGroupTest (159 ms total)
 71: 
 71: [----------] 4 tests from AccelerationWorks/AccelerationGroupTest
 71: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/0
@@ -287440,10 +287350,6 @@
 71: Generated 3 of the 3 1-4 parameter combinations
 71: 
 71: Excluding 2 bonded neighbours molecule type 'SOL'
-71: 
-71: Setting gen_seed to -812085
-71: 
-71: Velocities were taken from a Maxwell distribution at 0 K
 71: Number of degrees of freedom in T-Coupling group FirstWaterMolecule is 6.00
 71: Number of degrees of freedom in T-Coupling group SecondWaterMolecule is 6.00
 71: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
@@ -287453,6 +287359,10 @@
 71: 
 71: There were 3 NOTEs
 71: 
+71: Setting gen_seed to 2130377584
+71: 
+71: Velocities were taken from a Maxwell distribution at 0 K
+71: 
 71: This run will generate roughly 0 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/AccelerationWorks_AccelerationGroupTest_WithinTolerances_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Can not increase nstlist because an NVE ensemble is used
@@ -287470,9 +287380,9 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.001        0.001      189.7
+71:        Time:        0.001        0.001      189.2
 71:                  (ns/day)    (hour/ns)
-71: Performance:     2657.019        0.009
+71: Performance:     2904.266        0.008
 71: 
 71: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/0 (4 ms)
 71: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/1
@@ -287498,7 +287408,7 @@
 71: 
 71: Excluding 2 bonded neighbours molecule type 'SOL'
 71: 
-71: Setting gen_seed to 2104351983
+71: Setting gen_seed to -110503048
 71: 
 71: Velocities were taken from a Maxwell distribution at 0 K
 71: Number of degrees of freedom in T-Coupling group FirstWaterMolecule is 6.00
@@ -287526,11 +287436,11 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.001        0.001      189.2
+71:        Time:        0.002        0.001      188.4
 71:                  (ns/day)    (hour/ns)
-71: Performance:     2654.856        0.009
+71: Performance:     1650.970        0.015
 71: 
-71: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/1 (4 ms)
+71: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/1 (5 ms)
 71: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/2
 71: 
 71: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/AccelerationWorks_AccelerationGroupTest_WithinTolerances_2_input.mdp]:
@@ -287547,26 +287457,26 @@
 71: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/AccelerationWorks_AccelerationGroupTest_WithinTolerances_2_input.mdp]:
 71:   Setting nstcalcenergy (100) equal to nstenergy (4)
 71: 
-71: Generating 1-4 interactions: fudge = 0.5
-71: Number of degrees of freedom in T-Coupling group FirstWaterMolecule is 6.00
-71: Number of degrees of freedom in T-Coupling group SecondWaterMolecule is 6.00
-71: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
-71: Net Acceleration in X direction, will not be corrected
-71: Net Acceleration in Y direction, will not be corrected
-71: Net Acceleration in Z direction, will not be corrected
-71: 
-71: There were 3 NOTEs
 71: Generated 3 of the 3 non-bonded parameter combinations
 71: 
 71: Generated 3 of the 3 1-4 parameter combinations
+71: Generating 1-4 interactions: fudge = 0.5
 71: 
 71: Excluding 2 bonded neighbours molecule type 'SOL'
 71: 
-71: Setting gen_seed to -34685965
+71: Setting gen_seed to -319985667
 71: 
 71: Velocities were taken from a Maxwell distribution at 0 K
 71: 
 71: This run will generate roughly 0 Mb of data
+71: Number of degrees of freedom in T-Coupling group FirstWaterMolecule is 6.00
+71: Number of degrees of freedom in T-Coupling group SecondWaterMolecule is 6.00
+71: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
+71: Net Acceleration in X direction, will not be corrected
+71: Net Acceleration in Y direction, will not be corrected
+71: Net Acceleration in Z direction, will not be corrected
+71: 
+71: There were 3 NOTEs
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/AccelerationWorks_AccelerationGroupTest_WithinTolerances_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Can not increase nstlist because an NVE ensemble is used
 71: Using 1 MPI process
@@ -287583,11 +287493,11 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.001        0.001      189.9
+71:        Time:        0.002        0.001      189.8
 71:                  (ns/day)    (hour/ns)
-71: Performance:     2381.519        0.010
+71: Performance:     1780.290        0.013
 71: 
-71: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/2 (4 ms)
+71: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/2 (7 ms)
 71: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/3
 71: 
 71: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/AccelerationWorks_AccelerationGroupTest_WithinTolerances_3_input.mdp]:
@@ -287604,12 +287514,16 @@
 71: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/AccelerationWorks_AccelerationGroupTest_WithinTolerances_3_input.mdp]:
 71:   Setting nstcalcenergy (100) equal to nstenergy (4)
 71: 
-71: Generating 1-4 interactions: fudge = 0.5
 71: Generated 3 of the 3 non-bonded parameter combinations
 71: 
 71: Generated 3 of the 3 1-4 parameter combinations
 71: 
 71: Excluding 2 bonded neighbours molecule type 'SOL'
+71: Generating 1-4 interactions: fudge = 0.5
+71: 
+71: Setting gen_seed to -1751121923
+71: 
+71: Velocities were taken from a Maxwell distribution at 0 K
 71: Number of degrees of freedom in T-Coupling group FirstWaterMolecule is 6.00
 71: Number of degrees of freedom in T-Coupling group SecondWaterMolecule is 6.00
 71: Net Acceleration in X direction, will not be corrected
@@ -287618,10 +287532,6 @@
 71: 
 71: There were 3 NOTEs
 71: 
-71: Setting gen_seed to -168035397
-71: 
-71: Velocities were taken from a Maxwell distribution at 0 K
-71: 
 71: This run will generate roughly 0 Mb of data
 71: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/AccelerationWorks_AccelerationGroupTest_WithinTolerances_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 71: Can not increase nstlist because verlet-buffer-tolerance is not set or used
@@ -287639,19 +287549,19 @@
 71: Writing final coordinates.
 71: 
 71:                Core t (s)   Wall t (s)        (%)
-71:        Time:        0.001        0.001      190.5
+71:        Time:        0.002        0.001      190.3
 71:                  (ns/day)    (hour/ns)
-71: Performance:     2371.131        0.010
+71: Performance:     1718.836        0.014
 71: 
-71: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/3 (4 ms)
-71: [----------] 4 tests from AccelerationWorks/AccelerationGroupTest (19 ms total)
+71: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/3 (7 ms)
+71: [----------] 4 tests from AccelerationWorks/AccelerationGroupTest (25 ms total)
 71: 
 71: [----------] Global test environment tear-down
-71: [==========] 29 tests from 8 test suites ran. (25957 ms total)
+71: [==========] 29 tests from 8 test suites ran. (25943 ms total)
 71: [  PASSED  ] 28 tests.
 71: [  SKIPPED ] 1 test, listed below:
 71: [  SKIPPED ] FreezeWorks/FreezeGroupTest.WithinTolerances/5
-71/96 Test #71: MdrunTestsOneRank ............................   Passed   26.13 sec
+71/96 Test #71: MdrunTestsOneRank ............................   Passed   26.12 sec
 test 72
       Start 72: MdrunTestsTwoRanks
 
@@ -287662,10 +287572,10 @@
 72: [----------] Global test environment set-up.
 72: [----------] 1 test from CompelTest
 72: [ RUN      ] CompelTest.SwapCanRun
-72: Setting the LD random seed to -269015393
+72: Setting the LD random seed to 1023277951
+72: Generating 1-4 interactions: fudge = 0.5
 72: 
 72: Generated 330891 of the 330891 non-bonded parameter combinations
-72: Generating 1-4 interactions: fudge = 0.5
 72: 
 72: Generated 330891 of the 330891 1-4 parameter combinations
 72: 
@@ -287749,19 +287659,19 @@
 72: 
 72: Dynamic load balancing report:
 72:  DLB was off during the run due to low measured imbalance.
-72:  Average load imbalance: 6.9%.
+72:  Average load imbalance: 0.6%.
 72:  The balanceable part of the MD step is 22%, load imbalance is computed from this.
-72:  Part of the total run time spent waiting due to load imbalance: 1.5%.
+72:  Part of the total run time spent waiting due to load imbalance: 0.1%.
 72: 
 72: 
-72: NOTE: 6 % of the run time was spent in domain decomposition,
-72:       35 % of the run time was spent in pair search,
+72: NOTE: 7 % of the run time was spent in domain decomposition,
+72:       33 % of the run time was spent in pair search,
 72:       you might want to increase nstlist (this has no effect on accuracy)
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.430        0.108      399.6
+72:        Time:        0.451        0.113      399.6
 72:                  (ns/day)    (hour/ns)
-72: Performance:       12.041        1.993
+72: Performance:       11.471        2.092
 72: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/CompelTest_SwapCanRun.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 72: Overriding nsteps with value passed on the command line: 2 steps, 0.01 ps
 72: 
@@ -287786,15 +287696,15 @@
 72: 
 72: Writing final coordinates.
 72: 
-72: NOTE: 26 % of the run time was spent in pair search,
+72: NOTE: 23 % of the run time was spent in pair search,
 72:       you might want to increase nstlist (this has no effect on accuracy)
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.306        0.077      399.6
+72:        Time:        0.360        0.090      399.6
 72:                  (ns/day)    (hour/ns)
-72: Performance:       16.904        1.420
-72: [       OK ] CompelTest.SwapCanRun (427 ms)
-72: [----------] 1 test from CompelTest (427 ms total)
+72: Performance:       14.390        1.668
+72: [       OK ] CompelTest.SwapCanRun (455 ms)
+72: [----------] 1 test from CompelTest (456 ms total)
 72: 
 72: [----------] 6 tests from BondedInteractionsTest
 72: [ RUN      ] BondedInteractionsTest.NormalBondWorks
@@ -287803,18 +287713,14 @@
 72:   For a correct single-point energy evaluation with nsteps = 0, use
 72:   continuation = yes to avoid constraining the input coordinates.
 72: 
-72: Setting the LD random seed to -428228801
+72: Setting the LD random seed to -204559875
 72: 
 72: Generated 3 of the 3 non-bonded parameter combinations
 72: 
 72: Excluding 3 bonded neighbours molecule type 'butane'
 72: 
 72: NOTE 2 [file BondedInteractionsTest_NormalBondWorks_butane1.top, line 31]:
-72:   In moleculetype 'butane' 2 atoms are not bound by 
-72: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
-72: 
-72: This run will generate roughly 0 Mb of data
-72: a potential or
+72:   In moleculetype 'butane' 2 atoms are not bound by a potential or
 72:   constraint to any other atom in the same moleculetype. Although
 72:   technically this might not cause issues in a simulation, this often means
 72:   that the user forgot to add a bond/potential/constraint or put multiple
@@ -287829,7 +287735,11 @@
 72:   buffer of 10%. Check your energy drift!
 72: 
 72: 
+72: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
+72: 
 72: There were 3 NOTEs
+72: 
+72: This run will generate roughly 0 Mb of data
 72: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalBondWorks.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 72: Can not increase nstlist because an NVE ensemble is used
 72: Using 2 MPI processes
@@ -287846,21 +287756,30 @@
 72: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 72: 
 72: NOTE: 19 % of the run time was spent in domain decomposition,
-72:       14 % of the run time was spent in pair search,
+72:       15 % of the run time was spent in pair search,
 72:       you might want to increase nstlist (this has no effect on accuracy)
 72: 
-72: NOTE: 5 % of the run time was spent communicating energies,
+72: NOTE: 6 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.001        0.000      370.5
+72:        Time:        0.001        0.000      371.7
 72:                  (ns/day)    (hour/ns)
-72: Performance:      389.874        0.062
+72: Performance:      356.155        0.067
+72: [       OK ] BondedInteractionsTest.NormalBondWorks (4 ms)
+72: [ RUN      ] BondedInteractionsTest.TabulatedBondWorks
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedBondWorks_input.mdp]:
 72:   For a correct single-point energy evaluation with nsteps = 0, use
 72:   continuation = yes to avoid constraining the input coordinates.
 72: 
+72: Setting the LD random seed to -411041865
+72: 
+72: Generated 3 of the 3 non-bonded parameter combinations
+72: 
+72: Excluding 3 bonded neighbours molecule type 'butane'
+72: 
+72: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 72: 
 72: NOTE 2 [file BondedInteractionsTest_TabulatedBondWorks_butane1.top, line 31]:
 72:   In moleculetype 'butane' 2 atoms are not bound by a potential or
@@ -287879,6 +287798,8 @@
 72: 
 72: 
 72: There were 3 NOTEs
+72: 
+72: This run will generate roughly 0 Mb of data
 72: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedBondWorks.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 72: Can not increase nstlist because an NVE ensemble is used
 72: Using 2 MPI processes
@@ -287889,38 +287810,30 @@
 72:       and the -pin option is set to auto: will not pin threads to cpus.
 72:       This can lead to significant performance degradation.
 72:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-72: [       OK ] BondedInteractionsTest.NormalBondWorks (4 ms)
-72: [ RUN      ] BondedInteractionsTest.TabulatedBondWorks
-72: Setting the LD random seed to -1074791427
-72: 
-72: Generated 3 of the 3 non-bonded parameter combinations
-72: 
-72: Excluding 3 bonded neighbours molecule type 'butane'
-72: 
-72: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
-72: 
-72: This run will generate roughly 0 Mb of data
 72: starting md rerun 'A single butane', reading coordinates from input trajectory '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro'
 72: 
 72: Reading frames from gro file 'A single butane', 4 atoms.
 72: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 72: 
-72: NOTE: 34 % of the run time was spent in domain decomposition,
-72:       7 % of the run time was spent in pair search,
+72: NOTE: 19 % of the run time was spent in domain decomposition,
+72:       14 % of the run time was spent in pair search,
 72:       you might want to increase nstlist (this has no effect on accuracy)
 72: 
+72: NOTE: 6 % of the run time was spent communicating energies,
+72:       you might want to increase some nst* mdp options
+72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.002        0.001      386.2
+72:        Time:        0.001        0.000      372.3
 72:                  (ns/day)    (hour/ns)
-72: Performance:      139.514        0.172
-72: [       OK ] BondedInteractionsTest.TabulatedBondWorks (5 ms)
+72: Performance:      337.105        0.071
+72: [       OK ] BondedInteractionsTest.TabulatedBondWorks (6 ms)
 72: [ RUN      ] BondedInteractionsTest.NormalAngleWorks
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalAngleWorks_input.mdp]:
 72:   For a correct single-point energy evaluation with nsteps = 0, use
 72:   continuation = yes to avoid constraining the input coordinates.
 72: 
-72: Setting the LD random seed to -1074287186
+72: Setting the LD random seed to 1990195193
 72: 
 72: Generated 3 of the 3 non-bonded parameter combinations
 72: 
@@ -287944,9 +287857,9 @@
 72:   buffer of 10%. Check your energy drift!
 72: 
 72: 
-72: This run will generate roughly 0 Mb of data
-72: 
 72: There were 3 NOTEs
+72: 
+72: This run will generate roughly 0 Mb of data
 72: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalAngleWorks.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 72: Can not increase nstlist because an NVE ensemble is used
 72: Using 2 MPI processes
@@ -287962,17 +287875,17 @@
 72: Reading frames from gro file 'A single butane', 4 atoms.
 72: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 72: 
-72: NOTE: 24 % of the run time was spent in domain decomposition,
-72:       8 % of the run time was spent in pair search,
+72: NOTE: 15 % of the run time was spent in domain decomposition,
+72:       28 % of the run time was spent in pair search,
 72:       you might want to increase nstlist (this has no effect on accuracy)
 72: 
 72: NOTE: 7 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.002        0.001      306.5
+72:        Time:        0.001        0.000      375.2
 72:                  (ns/day)    (hour/ns)
-72: Performance:      142.252        0.169
+72: Performance:      282.784        0.085
 72: [       OK ] BondedInteractionsTest.NormalAngleWorks (4 ms)
 72: [ RUN      ] BondedInteractionsTest.TabulatedAngleWorks
 72: 
@@ -287980,7 +287893,7 @@
 72:   For a correct single-point energy evaluation with nsteps = 0, use
 72:   continuation = yes to avoid constraining the input coordinates.
 72: 
-72: Setting the LD random seed to -539426986
+72: Setting the LD random seed to -625186
 72: 
 72: Generated 3 of the 3 non-bonded parameter combinations
 72: 
@@ -288022,14 +287935,17 @@
 72: Reading frames from gro file 'A single butane', 4 atoms.
 72: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 72: 
-72: NOTE: 24 % of the run time was spent in domain decomposition,
-72:       18 % of the run time was spent in pair search,
+72: NOTE: 21 % of the run time was spent in domain decomposition,
+72:       13 % of the run time was spent in pair search,
 72:       you might want to increase nstlist (this has no effect on accuracy)
 72: 
+72: NOTE: 6 % of the run time was spent communicating energies,
+72:       you might want to increase some nst* mdp options
+72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.001        0.000      376.6
+72:        Time:        0.001        0.000      372.0
 72:                  (ns/day)    (hour/ns)
-72: Performance:      286.473        0.084
+72: Performance:      322.984        0.074
 72: [       OK ] BondedInteractionsTest.TabulatedAngleWorks (5 ms)
 72: [ RUN      ] BondedInteractionsTest.NormalDihedralWorks
 72: 
@@ -288037,7 +287953,7 @@
 72:   For a correct single-point energy evaluation with nsteps = 0, use
 72:   continuation = yes to avoid constraining the input coordinates.
 72: 
-72: Setting the LD random seed to -1417753241
+72: Setting the LD random seed to -1820465290
 72: 
 72: Generated 3 of the 3 non-bonded parameter combinations
 72: 
@@ -288079,22 +287995,22 @@
 72: Reading frames from gro file 'A single butane', 4 atoms.
 72: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 72: 
-72: NOTE: 16 % of the run time was spent in domain decomposition,
-72:       11 % of the run time was spent in pair search,
+72: NOTE: 14 % of the run time was spent in domain decomposition,
+72:       10 % of the run time was spent in pair search,
 72:       you might want to increase nstlist (this has no effect on accuracy)
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.001        0.000      377.1
+72:        Time:        0.001        0.000      373.1
 72:                  (ns/day)    (hour/ns)
-72: Performance:      260.430        0.092
-72: [       OK ] BondedInteractionsTest.NormalDihedralWorks (5 ms)
+72: Performance:      268.138        0.090
+72: [       OK ] BondedInteractionsTest.NormalDihedralWorks (4 ms)
 72: [ RUN      ] BondedInteractionsTest.TabulatedDihedralWorks
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedDihedralWorks_input.mdp]:
 72:   For a correct single-point energy evaluation with nsteps = 0, use
 72:   continuation = yes to avoid constraining the input coordinates.
 72: 
-72: Setting the LD random seed to -16812554
+72: Setting the LD random seed to 1845390491
 72: 
 72: Generated 3 of the 3 non-bonded parameter combinations
 72: 
@@ -288102,8 +288018,6 @@
 72: 
 72: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/butane1.gro', all velocities are zero
 72: 
-72: This run will generate roughly 0 Mb of data
-72: 
 72: NOTE 2 [file BondedInteractionsTest_TabulatedDihedralWorks_butane1.top, line 31]:
 72:   In moleculetype 'butane' 4 atoms are not bound by a potential or
 72:   constraint to any other atom in the same moleculetype. Although
@@ -288121,6 +288035,8 @@
 72: 
 72: 
 72: There were 3 NOTEs
+72: 
+72: This run will generate roughly 0 Mb of data
 72: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedDihedralWorks.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 72: Can not increase nstlist because an NVE ensemble is used
 72: Using 2 MPI processes
@@ -288136,14 +288052,14 @@
 72: Reading frames from gro file 'A single butane', 4 atoms.
 72: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 72: 
-72: NOTE: 38 % of the run time was spent in domain decomposition,
-72:       6 % of the run time was spent in pair search,
+72: NOTE: 13 % of the run time was spent in domain decomposition,
+72:       8 % of the run time was spent in pair search,
 72:       you might want to increase nstlist (this has no effect on accuracy)
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.002        0.001      387.2
+72:        Time:        0.002        0.000      378.9
 72:                  (ns/day)    (hour/ns)
-72: Performance:      145.042        0.165
+72: Performance:      215.643        0.111
 72: [       OK ] BondedInteractionsTest.TabulatedDihedralWorks (5 ms)
 72: [----------] 6 tests from BondedInteractionsTest (30 ms total)
 72: 
@@ -288163,21 +288079,21 @@
 72:   For a correct single-point energy evaluation with nsteps = 0, use
 72:   continuation = yes to avoid constraining the input coordinates.
 72: 
-72: Setting the LD random seed to 2112682999
+72: Setting the LD random seed to 2146940921
 72: 
 72: Generated 1 of the 1 non-bonded parameter combinations
 72: 
 72: Excluding 1 bonded neighbours molecule type 'Argon'
-72: Number of degrees of freedom in T-Coupling group rest is 33.00
-72: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
-72: 
-72: There were 3 NOTEs
 72: 
-72: Setting gen_seed to -909656321
+72: Setting gen_seed to -54179842
 72: 
 72: Velocities were taken from a Maxwell distribution at 0 K
 72: 
 72: This run will generate roughly 0 Mb of data
+72: Number of degrees of freedom in T-Coupling group rest is 33.00
+72: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
+72: 
+72: There were 3 NOTEs
 72: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_flowDoesNotAffectEkin.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 72: Can not increase nstlist because an NVE ensemble is used
 72: Using 2 MPI processes
@@ -288191,19 +288107,19 @@
 72: starting mdrun 'Argon'
 72: 0 steps,      0.0 ps.
 72: 
-72: NOTE: 37 % of the run time was spent in domain decomposition,
-72:       18 % of the run time was spent in pair search,
+72: NOTE: 25 % of the run time was spent in domain decomposition,
+72:       20 % of the run time was spent in pair search,
 72:       you might want to increase nstlist (this has no effect on accuracy)
 72: 
-72: NOTE: 33 % of the run time was spent communicating energies,
+72: NOTE: 6 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.054        0.014      398.9
+72:        Time:        0.001        0.000      300.1
 72:                  (ns/day)    (hour/ns)
-72: Performance:       12.682        1.892
+72: Performance:      863.857        0.028
 72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_flowDoesNotAffectEkin.edr as single precision energy file
-72: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] BoxDeformationTest.flowDoesNotAffectEkin (26 ms)
+72: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] BoxDeformationTest.flowDoesNotAffectEkin (4 ms)
 72: [ RUN      ] BoxDeformationTest.EnergiesWithinTolerances
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_EnergiesWithinTolerances_input.mdp]:
@@ -288214,7 +288130,7 @@
 72: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_EnergiesWithinTolerances_input.mdp]:
 72:   Setting nstcalcenergy (100) equal to nstenergy (10)
 72: 
-72: Setting the LD random seed to -404849697
+72: Setting the LD random seed to -369754329
 72: 
 72: Generated 330891 of the 330891 non-bonded parameter combinations
 72: Generating 1-4 interactions: fudge = 0.5
@@ -288254,21 +288170,18 @@
 72: 
 72: Dynamic load balancing report:
 72:  DLB got disabled because it was unsuitable to use.
-72:  Average load imbalance: 16.7%.
-72:  The balanceable part of the MD step is 24%, load imbalance is computed from this.
-72:  Part of the total run time spent waiting due to load imbalance: 4.0%.
-72: 
+72:  Average load imbalance: 14.8%.
+72:  The balanceable part of the MD step is 30%, load imbalance is computed from this.
+72:  Part of the total run time spent waiting due to load imbalance: 4.4%.
 72: 
-72: NOTE: 6 % of the run time was spent communicating energies,
-72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.175        0.044      399.3
+72:        Time:        0.448        0.112      399.8
 72:                  (ns/day)    (hour/ns)
-72: Performance:       82.923        0.289
+72: Performance:       32.353        0.742
 72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BoxDeformationTest_EnergiesWithinTolerances.edr as single precision energy file
-72: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Reading energy frame      2 time    0.040         
Last energy frame read 2 time    0.040         [       OK ] BoxDeformationTest.EnergiesWithinTolerances (1319 ms)
-72: [----------] 2 tests from BoxDeformationTest (1345 ms total)
+72: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Reading energy frame      2 time    0.040         
Last energy frame read 2 time    0.040         [       OK ] BoxDeformationTest.EnergiesWithinTolerances (1397 ms)
+72: [----------] 2 tests from BoxDeformationTest (1402 ms total)
 72: 
 72: [----------] 1 test from PositionRestraintCommTest
 72: [ RUN      ] PositionRestraintCommTest.PositionRestraintsTwoCOMs
@@ -288282,7 +288195,7 @@
 72: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PositionRestraintCommTest_PositionRestraintsTwoCOMs_input.mdp]:
 72:   Setting nstcalcenergy (100) equal to nstenergy (10)
 72: 
-72: Setting the LD random seed to -1096812612
+72: Setting the LD random seed to -571282515
 72: 
 72: Generated 330891 of the 330891 non-bonded parameter combinations
 72: Generating 1-4 interactions: fudge = 0.5
@@ -288335,11 +288248,11 @@
 72:   equilibrate a macro-molecule, the artifacts are usually negligible.
 72: 
 72: 
+72: This run will generate roughly 1 Mb of data
+72: 
 72: There were 4 NOTEs
 72: 
 72: There was 1 WARNING
-72: 
-72: This run will generate roughly 1 Mb of data
 72: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PositionRestraintCommTest_PositionRestraintsTwoCOMs.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 72: Changing nstlist from 10 to 20, rlist from 0.965 to 1.066
 72: 
@@ -288356,16 +288269,16 @@
 72: 
 72: Writing final coordinates.
 72: 
-72: NOTE: 13 % of the run time was spent communicating energies,
+72: NOTE: 15 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.453        0.113      399.7
+72:        Time:        0.546        0.137      399.7
 72:                  (ns/day)    (hour/ns)
-72: Performance:       16.787        1.430
+72: Performance:       13.908        1.726
 72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PositionRestraintCommTest_PositionRestraintsTwoCOMs.edr as single precision energy file
-72: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Last energy frame read 1 time    0.020         [       OK ] PositionRestraintCommTest.PositionRestraintsTwoCOMs (305 ms)
-72: [----------] 1 test from PositionRestraintCommTest (305 ms total)
+72: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.020         
Last energy frame read 1 time    0.020         [       OK ] PositionRestraintCommTest.PositionRestraintsTwoCOMs (342 ms)
+72: [----------] 1 test from PositionRestraintCommTest (342 ms total)
 72: 
 72: [----------] 2 tests from MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest
 72: [ RUN      ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/0
@@ -288374,7 +288287,7 @@
 72:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
 72:   < 0
 72: 
-72: Setting the LD random seed to 1878916860
+72: Setting the LD random seed to -549898297
 72: 
 72: Generated 2211 of the 2211 non-bonded parameter combinations
 72: Generating 1-4 interactions: fudge = 0.5
@@ -288385,22 +288298,14 @@
 72: 
 72: turning H bonds into constraints...
 72: 
+72: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/ala.gro'
+72: 
 72: NOTE 2 [file ala.top, line 256]:
 72:   For energy conservation with LINCS, lincs_iter should be 2 or larger.
 72: 
 72: 
-72: 
-72: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/ala.gro'
-72: 
 72: Number of degrees of freedom in T-Coupling group rest is 54.00
 72: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
-72: The largest distance between excluded atoms is 0.384 nm between atom 5 and 15
-72: Calculating fourier grid dimensions for X Y Z
-72: Using a fourier grid of 24x24x24, spacing 0.104 0.104 0.104
-72: 
-72: Estimate for the relative computational load of the PME mesh part: 0.95
-72: 
-72: This run will generate roughly 0 Mb of data
 72: 
 72: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_input.mdp]:
 72:   The optimal PME mesh load for parallel simulations is below 0.5
@@ -288410,6 +288315,14 @@
 72: 
 72: 
 72: There were 3 NOTEs
+72: 
+72: The largest distance between excluded atoms is 0.384 nm between atom 5 and 15
+72: Calculating fourier grid dimensions for X Y Z
+72: Using a fourier grid of 24x24x24, spacing 0.104 0.104 0.104
+72: 
+72: Estimate for the relative computational load of the PME mesh part: 0.95
+72: 
+72: This run will generate roughly 0 Mb of data
 72: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 72: Can not increase nstlist because an NVE ensemble is used
 72: Using 2 MPI processes
@@ -288425,19 +288338,19 @@
 72: 
 72: Writing final coordinates.
 72: 
-72: NOTE: 10 % of the run time was spent communicating energies,
+72: NOTE: 12 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.009        0.002      390.2
+72:        Time:        0.009        0.002      389.6
 72:                  (ns/day)    (hour/ns)
-72: Performance:      197.799        0.121
+72: Performance:      197.433        0.122
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_input.mdp]:
 72:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
 72:   < 0
 72: 
-72: Setting the LD random seed to -111160532
+72: Setting the LD random seed to 2113862543
 72: Generating 1-4 interactions: fudge = 0.5
 72: 
 72: Generated 2211 of the 2211 non-bonded parameter combinations
@@ -288488,35 +288401,35 @@
 72: 
 72: Writing final coordinates.
 72: 
-72: NOTE: 20 % of the run time was spent communicating energies,
+72: NOTE: 15 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.013        0.003      382.2
+72:        Time:        0.006        0.002      387.2
 72:                  (ns/day)    (hour/ns)
-72: Performance:      126.074        0.190
+72: Performance:      259.460        0.092
+72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim1.edr as single precision energy file
 72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim1.edr as single precision energy file
 72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
-72: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         trr version: GMX_trn_file (single precision)
+72: 
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
+72: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         trr version: GMX_trn_file (single precision)
+72: trr version: GMX_trn_file (single precision)
 72: 
 72: 
-72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim1.edr as single precision energy file
-72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
-72: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim1.edr as single precision energy file
-72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
-72: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         trr version: GMX_trn_file (single precision)
 72: 
 72: 
 72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim1.edr as single precision energy file
+72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim1.edr as single precision energy file
 72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
-72: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/0 (25366 ms)
+72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
+72: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/0 (23541 ms)
 72: [ RUN      ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/1
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_input.mdp]:
 72:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
 72:   < 0
 72: 
-72: Setting the LD random seed to -68161665
+72: Setting the LD random seed to -93870428
 72: Generating 1-4 interactions: fudge = 0.5
 72: 
 72: Generated 2211 of the 2211 non-bonded parameter combinations
@@ -288536,14 +288449,6 @@
 72: Number of degrees of freedom in T-Coupling group rest is 54.00
 72: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
 72: 
-72: The largest distance between excluded atoms is 0.384 nm between atom 5 and 15
-72: Calculating fourier grid dimensions for X Y Z
-72: Using a fourier grid of 24x24x24, spacing 0.104 0.104 0.104
-72: 
-72: Estimate for the relative computational load of the PME mesh part: 0.95
-72: 
-72: This run will generate roughly 0 Mb of data
-72: 
 72: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_input.mdp]:
 72:   The optimal PME mesh load for parallel simulations is below 0.5
 72:   and for highly parallel simulations between 0.25 and 0.33,
@@ -288552,6 +288457,14 @@
 72: 
 72: 
 72: There were 3 NOTEs
+72: 
+72: The largest distance between excluded atoms is 0.384 nm between atom 5 and 15
+72: Calculating fourier grid dimensions for X Y Z
+72: Using a fourier grid of 24x24x24, spacing 0.104 0.104 0.104
+72: 
+72: Estimate for the relative computational load of the PME mesh part: 0.95
+72: 
+72: This run will generate roughly 0 Mb of data
 72: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 72: Can not increase nstlist because an NVE ensemble is used
 72: Using 2 MPI processes
@@ -288567,22 +288480,22 @@
 72: 
 72: Writing final coordinates.
 72: 
-72: NOTE: 15 % of the run time was spent communicating energies,
+72: NOTE: 11 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.012        0.003      381.7
+72:        Time:        0.008        0.002      389.4
 72:                  (ns/day)    (hour/ns)
-72: Performance:      142.152        0.169
+72: Performance:      209.110        0.115
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_input.mdp]:
 72:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
 72:   < 0
 72: 
-72: Setting the LD random seed to -1307068417
+72: Setting the LD random seed to -138447058
+72: Generating 1-4 interactions: fudge = 0.5
 72: 
 72: Generated 2211 of the 2211 non-bonded parameter combinations
-72: Generating 1-4 interactions: fudge = 0.5
 72: 
 72: Generated 2211 of the 2211 1-4 parameter combinations
 72: 
@@ -288606,6 +288519,8 @@
 72: 
 72: 
 72: 
+72: There were 3 NOTEs
+72: 
 72: The largest distance between excluded atoms is 0.384 nm between atom 5 and 15
 72: Calculating fourier grid dimensions for X Y Z
 72: Using a fourier grid of 24x24x24, spacing 0.104 0.104 0.104
@@ -288613,8 +288528,6 @@
 72: Estimate for the relative computational load of the PME mesh part: 0.95
 72: 
 72: This run will generate roughly 0 Mb of data
-72: 
-72: There were 3 NOTEs
 72: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 72: Multiple time stepping is only supported with GPUs when MTS is only applied to longrange-nonbonded forces.
 72: Can not increase nstlist because an NVE ensemble is used
@@ -288632,36 +288545,36 @@
 72: 
 72: Writing final coordinates.
 72: 
-72: NOTE: 14 % of the run time was spent communicating energies,
+72: NOTE: 15 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.009        0.002      386.2
+72:        Time:        0.006        0.002      386.7
 72:                  (ns/day)    (hour/ns)
-72: Performance:      186.605        0.129
+72: Performance:      262.087        0.092
 72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim1.edr as single precision energy file
 72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim2.edr as single precision energy file
 72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim1.edr as single precision energy file
-72: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim2.edr as single precision energy file
-72: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
+72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim2.edr as single precision energy file
+72: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
 72: 
-72: 
Reading energy frame      1 time    0.004         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim1.edr as single precision energy file
-72: 
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim2.edr as single precision energy file
-72: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
 72: 
+72: 
+72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim1.edr as single precision energy file
 72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim1.edr as single precision energy file
 72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim2.edr as single precision energy file
-72: [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/1 (57 ms)
-72: [----------] 2 tests from MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest (25424 ms total)
+72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeStepping_MtsComparisonTest_WithinTolerances_1_sim2.edr as single precision energy file
+72: [       OK ] MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest.WithinTolerances/1 (27 ms)
+72: [----------] 2 tests from MultipleTimeSteppingIsNearSingleTimeStepping/MtsComparisonTest (23568 ms total)
 72: 
 72: [----------] 1 test from MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest
 72: [ RUN      ] MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest.WithinTolerances/0
-72: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
+72: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_input.mdp]:
 72:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
 72:   < 0
 72: 
-72: Setting the LD random seed to -343932961
+72: Setting the LD random seed to -6554369
 72: Generating 1-4 interactions: fudge = 0.5
 72: 
 72: Generated 3 of the 3 non-bonded parameter combinations
@@ -288682,14 +288595,14 @@
 72:        2         3         5       1.112 nm          1.000 nm
 72: 
 72: There was 1 NOTE
+72: 
+72: This run will generate roughly 0 Mb of data
 72: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 72: Can not increase nstlist because an NVE ensemble is used
 72: Using 2 MPI processes
 72: Using 2 OpenMP threads per MPI process
 72: 
 72: 
-72: This run will generate roughly 0 Mb of data
-72: 
 72: NOTE: The number of threads is not equal to the number of (logical) cpus
 72:       and the -pin option is set to auto: will not pin threads to cpus.
 72:       This can lead to significant performance degradation.
@@ -288699,23 +288612,19 @@
 72: 
 72: Writing final coordinates.
 72: 
-72: NOTE: 16 % of the run time was spent in domain decomposition,
-72:       0 % of the run time was spent in pair search,
-72:       you might want to increase nstlist (this has no effect on accuracy)
-72: 
-72: NOTE: 6 % of the run time was spent communicating energies,
+72: NOTE: 30 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.040        0.010      396.4
+72:        Time:        0.003        0.001      373.4
 72:                  (ns/day)    (hour/ns)
-72: Performance:       42.816        0.561
+72: Performance:      642.304        0.037
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_input.mdp]:
 72:   verlet-buffer-pressure-tolerance is ignored when verlet-buffer-tolerance
 72:   < 0
 72: 
-72: Setting the LD random seed to -41449
+72: Setting the LD random seed to -1073746057
 72: Generating 1-4 interactions: fudge = 0.5
 72: 
 72: Generated 3 of the 3 non-bonded parameter combinations
@@ -288735,9 +288644,9 @@
 72:        1         3         2
 72:        2         3         5       1.112 nm          1.000 nm
 72: 
-72: This run will generate roughly 0 Mb of data
-72: 
 72: There was 1 NOTE
+72: 
+72: This run will generate roughly 0 Mb of data
 72: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 72: Multiple time stepping is only supported with GPUs when MTS is only applied to longrange-nonbonded forces.
 72: Can not increase nstlist because an NVE ensemble is used
@@ -288755,31 +288664,31 @@
 72: 
 72: Writing final coordinates.
 72: 
-72: NOTE: 26 % of the run time was spent communicating energies,
+72: NOTE: 30 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.005        0.001      379.0
+72:        Time:        0.003        0.001      373.6
 72:                  (ns/day)    (hour/ns)
-72: Performance:      297.820        0.081
+72: Performance:      571.409        0.042
 72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim1.edr as single precision energy file
 72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim1.edr as single precision energy file
-72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
-72: 
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
-72: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
+72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSiOpened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
+72: 
Reading energy frame      0 time    0.000         ngleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
+72: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
+72: 
 72: 
-72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim1.edr as single precision energy file
-72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
-72: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
 72: 
 72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim1.edr as single precision energy file
+72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim1.edr as single precision energy file
+72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
 72: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MultipleTimeSteppingIsNearSingleTimeSteppingPull_MtsComparisonTest_WithinTolerances_0_sim2.edr as single precision energy file
-72: [       OK ] MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest.WithinTolerances/0 (35 ms)
-72: [----------] 1 test from MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest (35 ms total)
+72: [       OK ] MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest.WithinTolerances/0 (10 ms)
+72: [----------] 1 test from MultipleTimeSteppingIsNearSingleTimeSteppingPull/MtsComparisonTest (11 ms total)
 72: 
 72: [----------] 12 tests from FreezeWorks/FreezeGroupTest
 72: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/0
-72: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
+72: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
Last energy frame read 1 time    0.004         
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_0_input.mdp]:
 72:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 72:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -288821,13 +288730,7 @@
 72: 
 72: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 246.451 K
 72: 
-72: NOTE 5 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGro
-72: Calculated rlist for 1x1 atom pair-list as 0.755 nm, buffer size 0.055 nm
-72: 
-72: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm
-72: 
-72: Note that mdrun will redetermine rlist based on the actual pair-list setup
-72: upTest_WithinTolerances_0_input.mdp]:
+72: NOTE 5 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_0_input.mdp]:
 72:   You are using a plain Coulomb cut-off, which might produce artifacts.
 72:   You might want to consider using PME electrostatics.
 72: 
@@ -288837,6 +288740,12 @@
 72: 
 72: There was 1 WARNING
 72: 
+72: Calculated rlist for 1x1 atom pair-list as 0.755 nm, buffer size 0.055 nm
+72: 
+72: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm
+72: 
+72: Note that mdrun will redetermine rlist based on the actual pair-list setup
+72: 
 72: This run will generate roughly 0 Mb of data
 72: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 72: Can not increase nstlist because an NVE ensemble is used
@@ -288856,12 +288765,12 @@
 72: 
 72: Dynamic load balancing report:
 72:  DLB was off during the run due to low measured imbalance.
-72:  Average load imbalance: 2.4%.
-72:  The balanceable part of the MD step is 56%, load imbalance is computed from this.
-72:  Part of the total run time spent waiting due to load imbalance: 1.3%.
+72:  Average load imbalance: 4.5%.
+72:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
+72:  Part of the total run time spent waiting due to load imbalance: 2.5%.
 72: 
 72: 
-72: NOTE: 14 % of the run time was spent in domain decomposition,
+72: NOTE: 13 % of the run time was spent in domain decomposition,
 72:       5 % of the run time was spent in pair search,
 72:       you might want to increase nstlist (this has no effect on accuracy)
 72: 
@@ -288869,14 +288778,14 @@
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.005        0.001      383.4
+72:        Time:        0.004        0.001      382.9
 72:                  (ns/day)    (hour/ns)
-72: Performance:      557.186        0.043
+72: Performance:      715.082        0.034
 72: 
 72: 
 72: 
 72: 
-72: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/0 (13 ms)
+72: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/0 (9 ms)
 72: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/1
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_1_input.mdp]:
@@ -288954,27 +288863,27 @@
 72: 
 72: Dynamic load balancing report:
 72:  DLB was off during the run due to low measured imbalance.
-72:  Average load imbalance: 0.2%.
-72:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-72:  Part of the total run time spent waiting due to load imbalance: 0.1%.
+72:  Average load imbalance: 6.7%.
+72:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
+72:  Part of the total run time spent waiting due to load imbalance: 3.3%.
 72: 
 72: 
-72: NOTE: 12 % of the run time was spent in domain decomposition,
-72:       4 % of the run time was spent in pair search,
+72: NOTE: 13 % of the run time was spent in domain decomposition,
+72:       5 % of the run time was spent in pair search,
 72:       you might want to increase nstlist (this has no effect on accuracy)
 72: 
-72: NOTE: 18 % of the run time was spent communicating energies,
+72: NOTE: 21 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.005        0.001      382.5
+72:        Time:        0.004        0.001      380.7
 72:                  (ns/day)    (hour/ns)
-72: Performance:      577.869        0.042
+72: Performance:      750.544        0.032
 72: 
 72: 
 72: 
 72: 
-72: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/1 (12 ms)
+72: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/1 (9 ms)
 72: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/2
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_2_input.mdp]:
@@ -289018,14 +288927,6 @@
 72: 
 72: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 246.451 K
 72: 
-72: Calculated rlist for 1x1 atom pair-list as 0.755 nm, buffer size 0.055 nm
-72: 
-72: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm
-72: 
-72: Note that mdrun will redetermine rlist based on the actual pair-list setup
-72: 
-72: This run will generate roughly 0 Mb of data
-72: 
 72: NOTE 5 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_2_input.mdp]:
 72:   You are using a plain Coulomb cut-off, which might produce artifacts.
 72:   You might want to consider using PME electrostatics.
@@ -289035,6 +288936,14 @@
 72: There were 5 NOTEs
 72: 
 72: There was 1 WARNING
+72: 
+72: Calculated rlist for 1x1 atom pair-list as 0.755 nm, buffer size 0.055 nm
+72: 
+72: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm
+72: 
+72: Note that mdrun will redetermine rlist based on the actual pair-list setup
+72: 
+72: This run will generate roughly 0 Mb of data
 72: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 72: Can not increase nstlist because an NVE ensemble is used
 72: Using 2 MPI processes
@@ -289053,33 +288962,27 @@
 72: 
 72: Dynamic load balancing report:
 72:  DLB was off during the run due to low measured imbalance.
-72:  Average load imbalance: 14.4%.
-72:  The balanceable part of the MD step is 35%, load imbalance is computed from this.
-72:  Part of the total run time spent waiting due to load imbalance: 5.1%.
-72: 
-72: NOTE: 5.1 % of the available CPU time was lost due to load imbalance
-72:       in the domain decomposition.
-72:       Dynamic load balancing was automatically disabled, but it might be beneficial to manually turn it on (option -dlb yes.)
-72:       You can also consider manually changing the decomposition (option -dd);
-72:       e.g. by using fewer domains along the box dimension in which there is
-72:       considerable inhomogeneity in the simulated system.
+72:  Average load imbalance: 6.7%.
+72:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
+72:  Part of the total run time spent waiting due to load imbalance: 3.4%.
 72: 
-72: NOTE: 12 % of the run time was spent in domain decomposition,
-72:       12 % of the run time was spent in pair search,
+72: 
+72: NOTE: 13 % of the run time was spent in domain decomposition,
+72:       5 % of the run time was spent in pair search,
 72:       you might want to increase nstlist (this has no effect on accuracy)
 72: 
-72: NOTE: 17 % of the run time was spent communicating energies,
+72: NOTE: 20 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.005        0.001      383.8
+72:        Time:        0.004        0.001      374.4
 72:                  (ns/day)    (hour/ns)
-72: Performance:      572.643        0.042
+72: Performance:      741.416        0.032
 72: 
 72: 
 72: 
 72: 
-72: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/2 (12 ms)
+72: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/2 (9 ms)
 72: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/3
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_3_input.mdp]:
@@ -289158,12 +289061,12 @@
 72: 
 72: Dynamic load balancing report:
 72:  DLB was off during the run due to low measured imbalance.
-72:  Average load imbalance: 5.3%.
-72:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
-72:  Part of the total run time spent waiting due to load imbalance: 2.7%.
+72:  Average load imbalance: 4.5%.
+72:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
+72:  Part of the total run time spent waiting due to load imbalance: 2.5%.
 72: 
 72: 
-72: NOTE: 15 % of the run time was spent in domain decomposition,
+72: NOTE: 13 % of the run time was spent in domain decomposition,
 72:       5 % of the run time was spent in pair search,
 72:       you might want to increase nstlist (this has no effect on accuracy)
 72: 
@@ -289171,14 +289074,14 @@
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.005        0.001      384.7
+72:        Time:        0.004        0.001      383.6
 72:                  (ns/day)    (hour/ns)
-72: Performance:      630.179        0.038
+72: Performance:      695.859        0.034
 72: 
 72: 
 72: 
 72: 
-72: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/3 (11 ms)
+72: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/3 (9 ms)
 72: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/4
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_4_input.mdp]:
@@ -289201,8 +289104,6 @@
 72: 
 72: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/alanine_vacuo.gro'
 72: 
-72: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 246.451 K
-72: 
 72: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_4_input.mdp]:
 72:   There are 5 atoms that are fully frozen and part of COMM removal
 72:   group(s), removing these atoms from the COMM removal group(s)
@@ -289221,6 +289122,8 @@
 72:   determining the Verlet buffer size
 72: 
 72: 
+72: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 246.451 K
+72: 
 72: NOTE 5 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_4_input.mdp]:
 72:   You are using a plain Coulomb cut-off, which might produce artifacts.
 72:   You might want to consider using PME electrostatics.
@@ -289256,27 +289159,27 @@
 72: 
 72: Dynamic load balancing report:
 72:  DLB was off during the run due to low measured imbalance.
-72:  Average load imbalance: 3.8%.
-72:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
-72:  Part of the total run time spent waiting due to load imbalance: 1.9%.
+72:  Average load imbalance: 4.9%.
+72:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
+72:  Part of the total run time spent waiting due to load imbalance: 2.7%.
 72: 
 72: 
-72: NOTE: 14 % of the run time was spent in domain decomposition,
+72: NOTE: 12 % of the run time was spent in domain decomposition,
 72:       5 % of the run time was spent in pair search,
 72:       you might want to increase nstlist (this has no effect on accuracy)
 72: 
-72: NOTE: 28 % of the run time was spent communicating energies,
+72: NOTE: 27 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.005        0.001      385.8
+72:        Time:        0.004        0.001      382.9
 72:                  (ns/day)    (hour/ns)
-72: Performance:      570.390        0.042
+72: Performance:      672.403        0.036
 72: 
 72: 
 72: 
 72: 
-72: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/4 (10 ms)
+72: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/4 (9 ms)
 72: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/5
 72: [  SKIPPED ] FreezeWorks/FreezeGroupTest.WithinTolerances/5 (0 ms)
 72: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/6
@@ -289349,18 +289252,18 @@
 72: 
 72: Writing final coordinates.
 72: 
-72: NOTE: 18 % of the run time was spent communicating energies,
+72: NOTE: 20 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.004        0.001      383.8
+72:        Time:        0.004        0.001      383.2
 72:                  (ns/day)    (hour/ns)
-72: Performance:      676.447        0.035
+72: Performance:      774.057        0.031
 72: 
 72: 
 72: 
 72: 
-72: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/6 (12 ms)
+72: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/6 (11 ms)
 72: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/7
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_7_input.mdp]:
@@ -289398,14 +289301,6 @@
 72: 
 72: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 72: 
-72: Calculated rlist for 1x1 atom pair-list as 0.761 nm, buffer size 0.061 nm
-72: 
-72: Set rlist, assuming 4x4 atom pair-list, to 0.754 nm, buffer size 0.054 nm
-72: 
-72: Note that mdrun will redetermine rlist based on the actual pair-list setup
-72: 
-72: This run will generate roughly 0 Mb of data
-72: 
 72: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_7_input.mdp]:
 72:   You are using a plain Coulomb cut-off, which might produce artifacts.
 72:   You might want to consider using PME electrostatics.
@@ -289415,6 +289310,14 @@
 72: There were 4 NOTEs
 72: 
 72: There was 1 WARNING
+72: 
+72: Calculated rlist for 1x1 atom pair-list as 0.761 nm, buffer size 0.061 nm
+72: 
+72: Set rlist, assuming 4x4 atom pair-list, to 0.754 nm, buffer size 0.054 nm
+72: 
+72: Note that mdrun will redetermine rlist based on the actual pair-list setup
+72: 
+72: This run will generate roughly 0 Mb of data
 72: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 72: Changing nstlist from 8 to 20, rlist from 0.754 to 0.856
 72: 
@@ -289431,13 +289334,13 @@
 72: 
 72: Writing final coordinates.
 72: 
-72: NOTE: 18 % of the run time was spent communicating energies,
+72: NOTE: 20 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.004        0.001      383.5
+72:        Time:        0.004        0.001      382.3
 72:                  (ns/day)    (hour/ns)
-72: Performance:      701.245        0.034
+72: Performance:      762.743        0.031
 72: 
 72: 
 72: 
@@ -289513,13 +289416,13 @@
 72: 
 72: Writing final coordinates.
 72: 
-72: NOTE: 18 % of the run time was spent communicating energies,
+72: NOTE: 20 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.004        0.001      384.3
+72:        Time:        0.004        0.001      382.4
 72:                  (ns/day)    (hour/ns)
-72: Performance:      692.020        0.035
+72: Performance:      764.173        0.031
 72: 
 72: 
 72: 
@@ -289593,13 +289496,13 @@
 72: 
 72: Writing final coordinates.
 72: 
-72: NOTE: 21 % of the run time was spent communicating energies,
+72: NOTE: 23 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.004        0.001      383.8
+72:        Time:        0.004        0.001      381.9
 72:                  (ns/day)    (hour/ns)
-72: Performance:      727.605        0.033
+72: Performance:      828.526        0.029
 72: 
 72: 
 72: 
@@ -289673,18 +289576,22 @@
 72: 
 72: Writing final coordinates.
 72: 
-72: NOTE: 17 % of the run time was spent communicating energies,
+72: NOTE: 11 % of the run time was spent in domain decomposition,
+72:       3 % of the run time was spent in pair search,
+72:       you might want to increase nstlist (this has no effect on accuracy)
+72: 
+72: NOTE: 21 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.005        0.001      386.4
+72:        Time:        0.004        0.001      381.9
 72:                  (ns/day)    (hour/ns)
-72: Performance:      569.096        0.042
+72: Performance:      752.276        0.032
 72: 
 72: 
 72: 
 72: 
-72: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/10 (27 ms)
+72: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/10 (24 ms)
 72: [ RUN      ] FreezeWorks/FreezeGroupTest.WithinTolerances/11
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/FreezeWorks_FreezeGroupTest_WithinTolerances_11_input.mdp]:
@@ -289753,19 +289660,19 @@
 72: 
 72: Writing final coordinates.
 72: 
-72: NOTE: 17 % of the run time was spent communicating energies,
+72: NOTE: 23 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.004        0.001      382.9
+72:        Time:        0.004        0.001      381.1
 72:                  (ns/day)    (hour/ns)
-72: Performance:      730.294        0.033
+72: Performance:      807.300        0.030
 72: 
 72: 
 72: 
 72: 
 72: [       OK ] FreezeWorks/FreezeGroupTest.WithinTolerances/11 (24 ms)
-72: [----------] 12 tests from FreezeWorks/FreezeGroupTest (174 ms total)
+72: [----------] 12 tests from FreezeWorks/FreezeGroupTest (158 ms total)
 72: 
 72: [----------] 4 tests from AccelerationWorks/AccelerationGroupTest
 72: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/0
@@ -289791,7 +289698,7 @@
 72: 
 72: Excluding 2 bonded neighbours molecule type 'SOL'
 72: 
-72: Setting gen_seed to -672399361
+72: Setting gen_seed to -101779283
 72: 
 72: Velocities were taken from a Maxwell distribution at 0 K
 72: 
@@ -289822,25 +289729,25 @@
 72: 
 72: Dynamic load balancing report:
 72:  DLB was off during the run due to low measured imbalance.
-72:  Average load imbalance: 4.4%.
-72:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-72:  Part of the total run time spent waiting due to load imbalance: 2.0%.
+72:  Average load imbalance: 1.3%.
+72:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
+72:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 72: 
 72: 
-72: NOTE: 12 % of the run time was spent in domain decomposition,
-72:       6 % of the run time was spent in pair search,
+72: NOTE: 13 % of the run time was spent in domain decomposition,
+72:       7 % of the run time was spent in pair search,
 72:       you might want to increase nstlist (this has no effect on accuracy)
 72: 
-72: NOTE: 26 % of the run time was spent communicating energies,
+72: NOTE: 25 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.003        0.001      381.4
+72:        Time:        0.003        0.001      378.8
 72:                  (ns/day)    (hour/ns)
-72: Performance:     1918.806        0.013
+72: Performance:     2079.369        0.012
 72: 
 72: 
-72: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/0 (5 ms)
+72: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/0 (4 ms)
 72: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/1
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/AccelerationWorks_AccelerationGroupTest_WithinTolerances_1_input.mdp]:
@@ -289864,11 +289771,9 @@
 72: 
 72: Excluding 2 bonded neighbours molecule type 'SOL'
 72: 
-72: Setting gen_seed to -285270049
+72: Setting gen_seed to -17580065
 72: 
 72: Velocities were taken from a Maxwell distribution at 0 K
-72: 
-72: This run will generate roughly 0 Mb of data
 72: Number of degrees of freedom in T-Coupling group FirstWaterMolecule is 6.00
 72: Number of degrees of freedom in T-Coupling group SecondWaterMolecule is 6.00
 72: Net Acceleration in X direction, will not be corrected
@@ -289876,6 +289781,8 @@
 72: Net Acceleration in Z direction, will not be corrected
 72: 
 72: There were 3 NOTEs
+72: 
+72: This run will generate roughly 0 Mb of data
 72: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/AccelerationWorks_AccelerationGroupTest_WithinTolerances_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 72: Can not increase nstlist because verlet-buffer-tolerance is not set or used
 72: Using 2 MPI processes
@@ -289894,25 +289801,25 @@
 72: 
 72: Dynamic load balancing report:
 72:  DLB was off during the run due to low measured imbalance.
-72:  Average load imbalance: 7.8%.
-72:  The balanceable part of the MD step is 28%, load imbalance is computed from this.
-72:  Part of the total run time spent waiting due to load imbalance: 2.2%.
+72:  Average load imbalance: 0.3%.
+72:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
+72:  Part of the total run time spent waiting due to load imbalance: 0.1%.
 72: 
 72: 
-72: NOTE: 11 % of the run time was spent in domain decomposition,
-72:       15 % of the run time was spent in pair search,
+72: NOTE: 13 % of the run time was spent in domain decomposition,
+72:       7 % of the run time was spent in pair search,
 72:       you might want to increase nstlist (this has no effect on accuracy)
 72: 
-72: NOTE: 19 % of the run time was spent communicating energies,
+72: NOTE: 24 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.004        0.001      384.2
+72:        Time:        0.003        0.001      379.1
 72:                  (ns/day)    (hour/ns)
-72: Performance:     1601.518        0.015
+72: Performance:     2125.788        0.011
 72: 
 72: 
-72: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/1 (5 ms)
+72: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/1 (4 ms)
 72: [ RUN      ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/2
 72: 
 72: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/AccelerationWorks_AccelerationGroupTest_WithinTolerances_2_input.mdp]:
@@ -289936,7 +289843,7 @@
 72: 
 72: Excluding 2 bonded neighbours molecule type 'SOL'
 72: 
-72: Setting gen_seed to -294649859
+72: Setting gen_seed to -117507142
 72: 
 72: Velocities were taken from a Maxwell distribution at 0 K
 72: Number of degrees of freedom in T-Coupling group FirstWaterMolecule is 6.00
@@ -289967,28 +289874,22 @@
 72: 
 72: Dynamic load balancing report:
 72:  DLB was off during the run due to low measured imbalance.
-72:  Average load imbalance: 13.8%.
-72:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-72:  Part of the total run time spent waiting due to load imbalance: 6.3%.
-72: 
-72: NOTE: 6.3 % of the available CPU time was lost due to load imbalance
-72:       in the domain decomposition.
-72:       Dynamic load balancing was automatically disabled, but it might be beneficial to manually turn it on (option -dlb yes.)
-72:       You can also consider manually changing the decomposition (option -dd);
-72:       e.g. by using fewer domains along the box dimension in which there is
-72:       considerable inhomogeneity in the simulated system.
+72:  Average load imbalance: 1.2%.
+72:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+72:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+72: 
 72: 
 72: NOTE: 13 % of the run time was spent in domain decomposition,
 72:       6 % of the run time was spent in pair search,
 72:       you might want to increase nstlist (this has no effect on accuracy)
 72: 
-72: NOTE: 23 % of the run time was spent communicating energies,
+72: NOTE: 24 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.003        0.001      382.5
+72:        Time:        0.003        0.001      380.6
 72:                  (ns/day)    (hour/ns)
-72: Performance:     1825.632        0.013
+72: Performance:     2009.854        0.012
 72: 
 72: 
 72: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/2 (5 ms)
@@ -290015,9 +289916,11 @@
 72: 
 72: Excluding 2 bonded neighbours molecule type 'SOL'
 72: 
-72: Setting gen_seed to -1144522897
+72: Setting gen_seed to 166649791
 72: 
 72: Velocities were taken from a Maxwell distribution at 0 K
+72: 
+72: This run will generate roughly 0 Mb of data
 72: Number of degrees of freedom in T-Coupling group FirstWaterMolecule is 6.00
 72: Number of degrees of freedom in T-Coupling group SecondWaterMolecule is 6.00
 72: Net Acceleration in X direction, will not be corrected
@@ -290025,8 +289928,6 @@
 72: Net Acceleration in Z direction, will not be corrected
 72: 
 72: There were 3 NOTEs
-72: 
-72: This run will generate roughly 0 Mb of data
 72: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/AccelerationWorks_AccelerationGroupTest_WithinTolerances_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 72: Can not increase nstlist because verlet-buffer-tolerance is not set or used
 72: Using 2 MPI processes
@@ -290045,33 +289946,33 @@
 72: 
 72: Dynamic load balancing report:
 72:  DLB was off during the run due to low measured imbalance.
-72:  Average load imbalance: 1.6%.
-72:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
-72:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+72:  Average load imbalance: 1.0%.
+72:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+72:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 72: 
 72: 
 72: NOTE: 12 % of the run time was spent in domain decomposition,
 72:       6 % of the run time was spent in pair search,
 72:       you might want to increase nstlist (this has no effect on accuracy)
 72: 
-72: NOTE: 24 % of the run time was spent communicating energies,
+72: NOTE: 25 % of the run time was spent communicating energies,
 72:       you might want to increase some nst* mdp options
 72: 
 72:                Core t (s)   Wall t (s)        (%)
-72:        Time:        0.003        0.001      380.7
+72:        Time:        0.003        0.001      381.3
 72:                  (ns/day)    (hour/ns)
-72: Performance:     1982.669        0.012
+72: Performance:     1847.085        0.013
 72: 
 72: 
 72: [       OK ] AccelerationWorks/AccelerationGroupTest.WithinTolerances/3 (5 ms)
 72: [----------] 4 tests from AccelerationWorks/AccelerationGroupTest (20 ms total)
 72: 
 72: [----------] Global test environment tear-down
-72: [==========] 29 tests from 8 test suites ran. (27829 ms total)
+72: [==========] 29 tests from 8 test suites ran. (26049 ms total)
 72: [  PASSED  ] 28 tests.
 72: [  SKIPPED ] 1 test, listed below:
 72: [  SKIPPED ] FreezeWorks/FreezeGroupTest.WithinTolerances/5
-72/96 Test #72: MdrunTestsTwoRanks ...........................   Passed   28.02 sec
+72/96 Test #72: MdrunTestsTwoRanks ...........................   Passed   26.23 sec
 test 73
       Start 73: MdrunSingleRankAlgorithmsTests
 
@@ -290113,7 +290014,7 @@
 73:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 73: starting mdrun 'Alanine dipeptide in vacuo'
 73: 200 steps,      0.4 ps.
-73: Setting the LD random seed to -521217065
+73: Setting the LD random seed to 2055208879
 73: 
 73: Generated 2145 of the 2145 non-bonded parameter combinations
 73: 
@@ -290148,11 +290049,11 @@
 73: Writing final coordinates.
 73: 
 73:                Core t (s)   Wall t (s)        (%)
-73:        Time:        0.019        0.009      199.1
+73:        Time:        0.020        0.010      199.1
 73:                  (ns/day)    (hour/ns)
-73: Performance:     3673.776        0.007
-73: [       OK ] DispersionCorrectionTest.DispersionCorrectionCanRun (29 ms)
-73: [----------] 1 test from DispersionCorrectionTest (29 ms total)
+73: Performance:     3491.346        0.007
+73: [       OK ] DispersionCorrectionTest.DispersionCorrectionCanRun (32 ms)
+73: [----------] 1 test from DispersionCorrectionTest (32 ms total)
 73: 
 73: [----------] 1 test from OriresTest
 73: [ RUN      ] OriresTest.OriresCanRun
@@ -290179,7 +290080,7 @@
 73:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 73: starting mdrun 'GUANINE NUCLEOTIDE-BINDING PROTEIN G(T), ALPHA-1'
 73: 10 steps,      0.0 ps.
-73: Setting the LD random seed to -671113319
+73: Setting the LD random seed to 2128609245
 73: 
 73: Generated 2145 of the 2145 non-bonded parameter combinations
 73: 
@@ -290208,11 +290109,11 @@
 73: Writing final coordinates.
 73: 
 73:                Core t (s)   Wall t (s)        (%)
-73:        Time:        0.006        0.003      197.4
+73:        Time:        0.006        0.003      197.2
 73:                  (ns/day)    (hour/ns)
-73: Performance:      598.853        0.040
-73: [       OK ] OriresTest.OriresCanRun (251 ms)
-73: [----------] 1 test from OriresTest (251 ms total)
+73: Performance:      601.973        0.040
+73: [       OK ] OriresTest.OriresCanRun (249 ms)
+73: [----------] 1 test from OriresTest (249 ms total)
 73: 
 73: [----------] 3 tests from EwaldSurfaceTerm/EwaldSurfaceTermTest
 73: [ RUN      ] EwaldSurfaceTerm/EwaldSurfaceTermTest.WithinTolerances/0
@@ -290244,7 +290145,7 @@
 73:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 73: starting mdrun 'Dipoles'
 73: 20 steps,      0.1 ps.
-73: Setting the LD random seed to -1140861185
+73: Setting the LD random seed to -1110405665
 73: 
 73: Generated 1 of the 1 non-bonded parameter combinations
 73: 
@@ -290267,11 +290168,11 @@
 73:                Core t (s)   Wall t (s)        (%)
 73:        Time:        0.019        0.010      199.1
 73:                  (ns/day)    (hour/ns)
-73: Performance:      464.135        0.052
+73: Performance:      472.328        0.051
 73: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/EwaldSurfaceTerm_EwaldSurfaceTermTest_WithinTolerances_0.edr as single precision energy file
 73: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.010         
Reading energy frame      2 time    0.020         
Reading energy frame      3 time    0.030         
Reading energy frame      4 time    0.040         
Reading energy frame      5 time    0.050         
Last energy frame read 5 time    0.050         trr version: GMX_trn_file (single precision)
 73: 
-73: [       OK ] EwaldSurfaceTerm/EwaldSurfaceTermTest.WithinTolerances/0 (40296 ms)
+73: [       OK ] EwaldSurfaceTerm/EwaldSurfaceTermTest.WithinTolerances/0 (39902 ms)
 73: [ RUN      ] EwaldSurfaceTerm/EwaldSurfaceTermTest.WithinTolerances/1
 73: Test system 'epsilon-surface-constraint' cannot run with 1 ranks.
 73: The supported numbers are > 1.
@@ -290315,7 +290216,7 @@
 73:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 73: starting mdrun 'Dipoles'
 73: 20 steps,      0.1 ps.
-73: Setting the LD random seed to -269094915
+73: Setting the LD random seed to -687898625
 73: 
 73: Generated 1 of the 1 non-bonded parameter combinations
 73: 
@@ -290336,16 +290237,16 @@
 73:                Core t (s)   Wall t (s)        (%)
 73:        Time:        0.010        0.005      198.6
 73:                  (ns/day)    (hour/ns)
-73: Performance:      910.043        0.026
+73: Performance:      867.747        0.028
 73: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/EwaldSurfaceTerm_EwaldSurfaceTermTest_WithinTolerances_2.edr as single precision energy file
 73: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.010         
Reading energy frame      2 time    0.020         
Reading energy frame      3 time    0.030         
Reading energy frame      4 time    0.040         
Reading energy frame      5 time    0.050         
Last energy frame read 5 time    0.050         
-73: [       OK ] EwaldSurfaceTerm/EwaldSurfaceTermTest.WithinTolerances/2 (16439 ms)
-73: [----------] 3 tests from EwaldSurfaceTerm/EwaldSurfaceTermTest (56736 ms total)
+73: [       OK ] EwaldSurfaceTerm/EwaldSurfaceTermTest.WithinTolerances/2 (16990 ms)
+73: [----------] 3 tests from EwaldSurfaceTerm/EwaldSurfaceTermTest (56893 ms total)
 73: 
 73: [----------] Global test environment tear-down
-73: [==========] 5 tests from 3 test suites ran. (57030 ms total)
+73: [==========] 5 tests from 3 test suites ran. (57188 ms total)
 73: [  PASSED  ] 5 tests.
-73/96 Test #73: MdrunSingleRankAlgorithmsTests ...............   Passed   57.11 sec
+73/96 Test #73: MdrunSingleRankAlgorithmsTests ...............   Passed   57.27 sec
 test 74
       Start 74: Minimize1RankTests
 
@@ -290416,7 +290317,7 @@
 74: Maximum force     =  1.8629692e+02 on atom 13
 74: Norm of force     =  8.7721836e+01
 74: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_minimize.edr as single precision energy file
-74: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (189 ms)
+74: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (188 ms)
 74: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
@@ -290443,7 +290344,7 @@
 74: 
 74: 
 74: 
-74: straints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
+74: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
 74:   COM removal frequency is set to (4).
 74:   Other settings require a global communication frequency of 100.
 74:   Note that this will require additional global communication steps,
@@ -290452,7 +290353,7 @@
 74: 
 74: 
 74: There were 4 NOTEs
-74: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithCon
+74: 
 74: This run will generate roughly 0 Mb of data
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Using 1 MPI process
@@ -290481,7 +290382,7 @@
 74: Maximum force     =  4.2726685e+02 on atom 13
 74: Norm of force     =  1.8452681e+02
 74: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_minimize.edr as single precision energy file
-74: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (139 ms)
+74: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (145 ms)
 74: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
@@ -290546,7 +290447,7 @@
 74: Maximum force     =  9.9988691e+03 on atom 9
 74: Norm of force     =  4.6167015e+03
 74: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_minimize.edr as single precision energy file
-74: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (49 ms)
+74: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (56 ms)
 74: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]:
@@ -290618,7 +290519,7 @@
 74: Maximum force     =  7.4208760e+03 on atom 9
 74: Norm of force     =  3.5692977e+03
 74: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_minimize.edr as single precision energy file
-74: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (49 ms)
+74: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (48 ms)
 74: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]:
@@ -290788,7 +290689,7 @@
 74: Norm of force     =  7.9232004e+01
 74: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_minimize.edr as single precision energy file
 74: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (8 ms)
-74: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (446 ms total)
+74: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (456 ms total)
 74: 
 74: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest
 74: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0
@@ -290803,21 +290704,21 @@
 74:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 74:   setting nstcomm equal to nstcalcenergy for less overhead
 74: 
-74: Generated 1 of the 1 non-bonded parameter combinations
-74: 
-74: Excluding 1 bonded neighbours molecule type 'Argon'
 74: Number of degrees of freedom in T-Coupling group System is 33.00
 74: 
 74: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0_input.mdp]:
 74:   COM removal frequency is set to (4).
 74:   Other settings require a global communication frequency of 100.
 74:   Note that this will require additional global communication steps,
-74: en using multiple ranks.
+74:   which will reduce performance when using multiple ranks.
 74:   Consider setting nstcomm to a multiple of 100.
 74: 
 74: 
 74: There were 3 NOTEs
-74:   which will reduce performance wh
+74: Generated 1 of the 1 non-bonded parameter combinations
+74: 
+74: Excluding 1 bonded neighbours molecule type 'Argon'
+74: 
 74: This run will generate roughly 0 Mb of data
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Using 1 MPI process
@@ -290856,6 +290757,8 @@
 74: Generated 1 of the 1 non-bonded parameter combinations
 74: 
 74: Excluding 1 bonded neighbours molecule type 'Argon'
+74: 
+74: This run will generate roughly 0 Mb of data
 74: Number of degrees of freedom in T-Coupling group System is 33.00
 74: 
 74: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
@@ -290867,8 +290770,6 @@
 74: 
 74: 
 74: There were 3 NOTEs
-74: 
-74: This run will generate roughly 0 Mb of data
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 74: Using 1 MPI process
 74: Using 2 OpenMP threads 
@@ -290910,9 +290811,6 @@
 74: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
 74:   For efficient BFGS minimization, use switch/shift/pme instead of cut-off.
 74: 
-74: Generated 1 of the 1 non-bonded parameter combinations
-74: 
-74: Excluding 1 bonded neighbours molecule type 'Argon'
 74: Number of degrees of freedom in T-Coupling group System is 33.00
 74: 
 74: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
@@ -290926,6 +290824,9 @@
 74: There were 3 NOTEs
 74: 
 74: There was 1 WARNING
+74: Generated 1 of the 1 non-bonded parameter combinations
+74: 
+74: Excluding 1 bonded neighbours molecule type 'Argon'
 74: 
 74: This run will generate roughly 0 Mb of data
 74: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -290967,8 +290868,8 @@
 74:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 74:   setting nstcomm equal to nstcalcenergy for less overhead
 74: 
-74: Generated 20503 of the 20503 non-bonded parameter combinations
 74: Generating 1-4 interactions: fudge = 1
+74: Generated 20503 of the 20503 non-bonded parameter combinations
 74: 
 74: Generated 17396 of the 20503 1-4 parameter combinations
 74: 
@@ -291017,7 +290918,7 @@
 74: Maximum force     =  9.9704229e+03 on atom 9
 74: Norm of force     =  4.6227534e+03
 74: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_minimize.edr as single precision energy file
-74: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (50 ms)
+74: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (48 ms)
 74: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]:
@@ -291083,7 +290984,7 @@
 74: Maximum force     =  7.5018242e+03 on atom 9
 74: Norm of force     =  3.6139019e+03
 74: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_minimize.edr as single precision energy file
-74: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (49 ms)
+74: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (48 ms)
 74: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5
 74: 
 74: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]:
@@ -291165,11 +291066,11 @@
 74: Maximum force     =  1.2685385e+04 on atom 10
 74: Norm of force     =  6.0643598e+03
 74: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_minimize.edr as single precision energy file
-74: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (49 ms)
-74: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (163 ms total)
+74: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (48 ms)
+74: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (157 ms total)
 74: 
 74: [----------] Global test environment tear-down
-74: [==========] 12 tests from 2 test suites ran. (624 ms total)
+74: [==========] 12 tests from 2 test suites ran. (628 ms total)
 74: [  PASSED  ] 12 tests.
 74/96 Test #74: Minimize1RankTests ...........................   Passed    0.82 sec
 test 75
@@ -291193,8 +291094,8 @@
 75:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 75:   setting nstcomm equal to nstcalcenergy for less overhead
 75: 
-75: Generated 330891 of the 330891 non-bonded parameter combinations
 75: Generating 1-4 interactions: fudge = 0.5
+75: Generated 330891 of the 330891 non-bonded parameter combinations
 75: 
 75: Generated 330891 of the 330891 1-4 parameter combinations
 75: 
@@ -291242,7 +291143,7 @@
 75: Maximum force     =  1.8629709e+02 on atom 13
 75: Norm of force     =  8.7721970e+01
 75: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_minimize.edr as single precision energy file
-75: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (182 ms)
+75: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (203 ms)
 75: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1
 75: 
 75: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
@@ -291307,7 +291208,7 @@
 75: Maximum force     =  4.2727243e+02 on atom 13
 75: Norm of force     =  1.8452909e+02
 75: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_minimize.edr as single precision energy file
-75: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (140 ms)
+75: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (167 ms)
 75: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2
 75: 
 75: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
@@ -291320,8 +291221,8 @@
 75:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 75:   setting nstcomm equal to nstcalcenergy for less overhead
 75: 
-75: Generating 1-4 interactions: fudge = 1
 75: Generated 20503 of the 20503 non-bonded parameter combinations
+75: Generating 1-4 interactions: fudge = 1
 75: 
 75: Generated 17396 of the 20503 1-4 parameter combinations
 75: 
@@ -291337,6 +291238,8 @@
 75: 
 75: 
 75: 
+75: This run will generate roughly 0 Mb of data
+75: 
 75: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
 75:   COM removal frequency is set to (4).
 75:   Other settings require a global communication frequency of 100.
@@ -291346,8 +291249,6 @@
 75: 
 75: 
 75: There were 4 NOTEs
-75: 
-75: This run will generate roughly 0 Mb of data
 75: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 75: Using 2 MPI processes
 75: Using 2 OpenMP threads per MPI process
@@ -291372,7 +291273,7 @@
 75: Maximum force     =  9.9988691e+03 on atom 9
 75: Norm of force     =  4.6167015e+03
 75: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_minimize.edr as single precision energy file
-75: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (50 ms)
+75: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (63 ms)
 75: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3
 75: 
 75: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]:
@@ -291444,7 +291345,7 @@
 75: Maximum force     =  7.4208833e+03 on atom 9
 75: Norm of force     =  3.5692986e+03
 75: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_minimize.edr as single precision energy file
-75: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (50 ms)
+75: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (90 ms)
 75: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4
 75: 
 75: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]:
@@ -291525,7 +291426,7 @@
 75: Maximum force     =  4.5702222e+02 on atom 17
 75: Norm of force     =  1.8327095e+02
 75: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_minimize.edr as single precision energy file
-75: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    3.000         
Last energy frame read 2 time    3.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (8 ms)
+75: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    3.000         
Last energy frame read 2 time    3.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (12 ms)
 75: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5
 75: 
 75: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]:
@@ -291613,8 +291514,8 @@
 75: Maximum force     =  2.1838609e+02 on atom 17
 75: Norm of force     =  7.9233324e+01
 75: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_minimize.edr as single precision energy file
-75: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (43 ms)
-75: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (475 ms total)
+75: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (12 ms)
+75: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (550 ms total)
 75: 
 75: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest
 75: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0
@@ -291634,6 +291535,8 @@
 75: Excluding 1 bonded neighbours molecule type 'Argon'
 75: Number of degrees of freedom in T-Coupling group System is 33.00
 75: 
+75: This run will generate roughly 0 Mb of data
+75: 
 75: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0_input.mdp]:
 75:   COM removal frequency is set to (4).
 75:   Other settings require a global communication frequency of 100.
@@ -291643,8 +291546,6 @@
 75: 
 75: 
 75: There were 3 NOTEs
-75: 
-75: This run will generate roughly 0 Mb of data
 75: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 75: Using 2 MPI processes
 75: Using 2 OpenMP threads per MPI process
@@ -291666,7 +291567,7 @@
 75: Maximum force     =  4.0132279e+00 on atom 3
 75: Norm of force     =  1.6383933e+00
 75: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0_minimize.edr as single precision energy file
-75: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (8 ms)
+75: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (5 ms)
 75: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1
 75: 
 75: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
@@ -291679,20 +291580,20 @@
 75:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 75:   setting nstcomm equal to nstcalcenergy for less overhead
 75: 
+75: Generated 1 of the 1 non-bonded parameter combinations
+75: 
+75: Excluding 1 bonded neighbours molecule type 'Argon'
 75: Number of degrees of freedom in T-Coupling group System is 33.00
 75: 
 75: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
 75:   COM removal frequency is set to (4).
-75: cation frequency of 100.
+75:   Other settings require a global communication frequency of 100.
 75:   Note that this will require additional global communication steps,
 75:   which will reduce performance when using multiple ranks.
 75:   Consider setting nstcomm to a multiple of 100.
 75: 
 75: 
 75: There were 3 NOTEs
-75:   Other settings require a global communiGenerated 1 of the 1 non-bonded parameter combinations
-75: 
-75: Excluding 1 bonded neighbours molecule type 'Argon'
 75: 
 75: This run will generate roughly 0 Mb of data
 75: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -291739,6 +291640,8 @@
 75: Generated 1 of the 1 non-bonded parameter combinations
 75: 
 75: Excluding 1 bonded neighbours molecule type 'Argon'
+75: 
+75: This run will generate roughly 0 Mb of data
 75: Number of degrees of freedom in T-Coupling group System is 33.00
 75: 
 75: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
@@ -291752,8 +291655,6 @@
 75: There were 3 NOTEs
 75: 
 75: There was 1 WARNING
-75: 
-75: This run will generate roughly 0 Mb of data
 75: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (2 ms)
 75: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3
 75: 
@@ -291830,8 +291731,8 @@
 75:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 75:   setting nstcomm equal to nstcalcenergy for less overhead
 75: 
-75: Generating 1-4 interactions: fudge = 1
 75: Generated 20503 of the 20503 non-bonded parameter combinations
+75: Generating 1-4 interactions: fudge = 1
 75: 
 75: Generated 17396 of the 20503 1-4 parameter combinations
 75: 
@@ -291883,9 +291784,7 @@
 75: Maximum force     =  7.5018237e+03 on atom 9
 75: Norm of force     =  3.6139019e+03
 75: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_minimize.edr as single precision energy file
-75: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (49 ms)
-75: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5
-75: 
+75: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         
 75: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]:
 75:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 75:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -291900,8 +291799,10 @@
 75: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]:
 75:   For efficient BFGS minimization, use switch/shift/pme instead of cut-off.
 75: 
-75: Generating 1-4 interactions: fudge = 1
+75: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (54 ms)
+75: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5
 75: Generated 20503 of the 20503 non-bonded parameter combinations
+75: Generating 1-4 interactions: fudge = 1
 75: 
 75: Generated 17396 of the 20503 1-4 parameter combinations
 75: 
@@ -291928,13 +291829,13 @@
 75: There was 1 WARNING
 75: 
 75: This run will generate roughly 0 Mb of data
-75: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (47 ms)
-75: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (162 ms total)
+75: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (46 ms)
+75: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (163 ms total)
 75: 
 75: [----------] Global test environment tear-down
-75: [==========] 12 tests from 2 test suites ran. (656 ms total)
+75: [==========] 12 tests from 2 test suites ran. (736 ms total)
 75: [  PASSED  ] 12 tests.
-75/96 Test #75: Minimize2RankTests ...........................   Passed    0.87 sec
+75/96 Test #75: Minimize2RankTests ...........................   Passed    0.92 sec
 test 76
       Start 76: MdrunNonIntegratorTests
 
@@ -291955,9 +291856,9 @@
 76: 
 76: Coulomb LJ   comb. SIMD    Mcycles  Mcycles/it.   pairs/cycle
 76:                                                 total    useful
-76: Ewald   all  geom. 4xM       0.128     0.1276   9.3301   4.9361
-76: [       OK ] NonbondedBenchTest.BasicEndToEndTest (16 ms)
-76: [----------] 1 test from NonbondedBenchTest (16 ms total)
+76: Ewald   all  geom. 4xM       0.116     0.1162  10.2475   5.4214
+76: [       OK ] NonbondedBenchTest.BasicEndToEndTest (14 ms)
+76: [----------] 1 test from NonbondedBenchTest (14 ms total)
 76: 
 76: [----------] 12 tests from NormalMdrunIsReproduced/MdrunRerunTest
 76: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/0
@@ -292010,9 +291911,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.002        0.001      194.7
+76:        Time:        0.003        0.002      195.7
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1289.097        0.019
+76: Performance:      950.122        0.025
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -292032,9 +291933,9 @@
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.000      192.9
+76:        Time:        0.001        0.000      192.3
 76:                  (ns/day)    (hour/ns)
-76: Performance:     4260.438        0.006
+76: Performance:     4724.382        0.005
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -292090,9 +291991,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.002        0.001      196.5
+76:        Time:        0.002        0.001      196.1
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1512.173        0.016
+76: Performance:     1630.218        0.015
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -292107,13 +292008,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 25 % of the run time was spent in pair search,
+76: NOTE: 26 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.000      192.2
+76:        Time:        0.001        0.000      192.3
 76:                  (ns/day)    (hour/ns)
-76: Performance:     4391.015        0.005
+76: Performance:     4470.678        0.005
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -292165,7 +292066,7 @@
 76:                Core t (s)   Wall t (s)        (%)
 76:        Time:        0.001        0.001      193.4
 76:                  (ns/day)    (hour/ns)
-76: Performance:     2054.901        0.012
+76: Performance:     2091.882        0.011
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Changing nstlist from 8 to 100, rlist from 0.712 to 0.744
 76: 
@@ -292181,13 +292082,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 24 % of the run time was spent in pair search,
+76: NOTE: 30 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.000      193.2
+76:        Time:        0.001        0.000      192.7
 76:                  (ns/day)    (hour/ns)
-76: Performance:     3964.346        0.006
+76: Performance:     4583.775        0.005
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -292239,9 +292140,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.002        0.001      195.4
+76:        Time:        0.001        0.001      193.6
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1493.477        0.016
+76: Performance:     2013.266        0.012
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 76: 
@@ -292257,18 +292158,18 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 19 % of the run time was spent in pair search,
+76: NOTE: 26 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.000      193.7
+76:        Time:        0.001        0.000      192.8
 76:                  (ns/day)    (hour/ns)
-76: Performance:     3170.661        0.008
+76: Performance:     4549.922        0.005
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 76: 
-76: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/3 (6 ms)
+76: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/3 (5 ms)
 76: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/4
 76: 
 76: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_input.mdp]:
@@ -292331,9 +292232,9 @@
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.002        0.001      192.6
+76:        Time:        0.002        0.001      192.4
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1789.310        0.013
+76: Performance:     1784.645        0.013
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -292348,18 +292249,18 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 27 % of the run time was spent in pair search,
+76: NOTE: 20 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.000      191.6
+76:        Time:        0.001        0.000      192.6
 76:                  (ns/day)    (hour/ns)
-76: Performance:     4162.563        0.006
+76: Performance:     3906.527        0.006
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 76: 
-76: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/4 (196 ms)
+76: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/4 (153 ms)
 76: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/5
 76: 
 76: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_input.mdp]:
@@ -292419,9 +292320,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.002        0.001      195.7
+76:        Time:        0.002        0.001      195.9
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1325.144        0.018
+76: Performance:     1343.641        0.018
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -292436,18 +292337,18 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 27 % of the run time was spent in pair search,
+76: NOTE: 26 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.000      191.4
+76:        Time:        0.001        0.000      192.4
 76:                  (ns/day)    (hour/ns)
-76: Performance:     4098.865        0.006
+76: Performance:     3951.632        0.006
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 76: 
-76: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/5 (141 ms)
+76: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/5 (142 ms)
 76: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/6
 76: 
 76: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_input.mdp]:
@@ -292501,9 +292402,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.002        0.001      192.9
+76:        Time:        0.002        0.001      192.8
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1766.225        0.014
+76: Performance:     1854.483        0.013
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Changing nstlist from 8 to 100, rlist from 0.735 to 0.831
 76: 
@@ -292519,18 +292420,18 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 28 % of the run time was spent in pair search,
+76: NOTE: 31 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.000      192.9
+76:        Time:        0.001        0.000      193.3
 76:                  (ns/day)    (hour/ns)
-76: Performance:     3394.267        0.007
+76: Performance:     3765.644        0.006
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 76: 
-76: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/6 (145 ms)
+76: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/6 (144 ms)
 76: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/7
 76: 
 76: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_input.mdp]:
@@ -292586,9 +292487,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.002        0.001      193.2
+76:        Time:        0.002        0.001      193.6
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1656.519        0.014
+76: Performance:     1690.149        0.014
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 76: 
@@ -292608,14 +292509,14 @@
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.000      192.2
+76:        Time:        0.001        0.000      193.0
 76:                  (ns/day)    (hour/ns)
-76: Performance:     3691.189        0.007
+76: Performance:     3742.767        0.006
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 76: 
-76: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/7 (145 ms)
+76: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/7 (143 ms)
 76: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/8
 76: 
 76: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_input.mdp]:
@@ -292700,9 +292601,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.004        0.002      195.6
+76:        Time:        0.003        0.002      195.4
 76:                  (ns/day)    (hour/ns)
-76: Performance:      810.178        0.030
+76: Performance:      939.975        0.026
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -292719,18 +292620,18 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 24 % of the run time was spent in pair search,
+76: NOTE: 21 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      193.3
+76:        Time:        0.001        0.001      193.5
 76:                  (ns/day)    (hour/ns)
-76: Performance:     2339.762        0.010
+76: Performance:     2632.732        0.009
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 76: 
-76: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/8 (13 ms)
+76: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/8 (12 ms)
 76: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/9
 76: 
 76: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_input.mdp]:
@@ -292815,9 +292716,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.004        0.002      195.9
+76:        Time:        0.004        0.002      195.8
 76:                  (ns/day)    (hour/ns)
-76: Performance:      758.787        0.032
+76: Performance:      803.206        0.030
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -292834,13 +292735,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 23 % of the run time was spent in pair search,
+76: NOTE: 26 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      194.1
+76:        Time:        0.001        0.001      194.4
 76:                  (ns/day)    (hour/ns)
-76: Performance:     2405.542        0.010
+76: Performance:     2300.446        0.010
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -292923,9 +292824,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.003        0.002      195.5
+76:        Time:        0.004        0.002      196.0
 76:                  (ns/day)    (hour/ns)
-76: Performance:      865.130        0.028
+76: Performance:      786.794        0.031
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Changing nstlist from 8 to 80, rlist from 0.748 to 0.865
 76: 
@@ -292943,13 +292844,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 24 % of the run time was spent in pair search,
+76: NOTE: 26 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
 76:        Time:        0.001        0.001      193.8
 76:                  (ns/day)    (hour/ns)
-76: Performance:     2249.213        0.011
+76: Performance:     2097.580        0.011
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -293034,9 +292935,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.004        0.002      196.7
+76:        Time:        0.004        0.002      196.8
 76:                  (ns/day)    (hour/ns)
-76: Performance:      651.708        0.037
+76: Performance:      668.105        0.036
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Changing nstlist from 8 to 25, rlist from 0.729 to 0.81
 76: 
@@ -293054,19 +292955,19 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 23 % of the run time was spent in pair search,
+76: NOTE: 26 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      193.6
+76:        Time:        0.001        0.001      193.9
 76:                  (ns/day)    (hour/ns)
-76: Performance:     2283.393        0.011
+76: Performance:     2326.508        0.010
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 76: 
 76: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/11 (31 ms)
-76: [----------] 12 tests from NormalMdrunIsReproduced/MdrunRerunTest (777 ms total)
+76: [----------] 12 tests from NormalMdrunIsReproduced/MdrunRerunTest (727 ms total)
 76: 
 76: [----------] 33 tests from MdrunIsReproduced/MdrunRerunFreeEnergyTest
 76: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/0
@@ -293135,9 +293036,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.003        0.002      194.5
+76:        Time:        0.003        0.002      194.7
 76:                  (ns/day)    (hour/ns)
-76: Performance:      918.943        0.026
+76: Performance:      898.832        0.027
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -293152,13 +293053,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 21 % of the run time was spent in pair search,
+76: NOTE: 20 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      193.3
+76:        Time:        0.001        0.001      192.0
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1977.719        0.012
+76: Performance:     2590.662        0.009
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -293230,9 +293131,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.003        0.002      194.5
+76:        Time:        0.003        0.002      194.8
 76:                  (ns/day)    (hour/ns)
-76: Performance:      939.401        0.026
+76: Performance:      945.601        0.025
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -293251,9 +293152,9 @@
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      193.5
+76:        Time:        0.002        0.001      190.4
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1968.241        0.012
+76: Performance:     1822.661        0.013
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -293327,7 +293228,7 @@
 76:                Core t (s)   Wall t (s)        (%)
 76:        Time:        0.003        0.002      194.3
 76:                  (ns/day)    (hour/ns)
-76: Performance:      940.980        0.026
+76: Performance:      957.060        0.025
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -293342,18 +293243,18 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 19 % of the run time was spent in pair search,
+76: NOTE: 20 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      192.9
+76:        Time:        0.001        0.001      193.3
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1974.549        0.012
+76: Performance:     2017.221        0.012
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 76: 
-76: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/2 (13 ms)
+76: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/2 (12 ms)
 76: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/3
 76: 
 76: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_input.mdp]:
@@ -293420,9 +293321,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.003        0.002      194.6
+76:        Time:        0.003        0.002      194.5
 76:                  (ns/day)    (hour/ns)
-76: Performance:      929.060        0.026
+76: Performance:      955.279        0.025
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -293437,13 +293338,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 19 % of the run time was spent in pair search,
+76: NOTE: 20 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      192.6
+76:        Time:        0.001        0.001      193.5
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1944.632        0.012
+76: Performance:     1999.544        0.012
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -293515,9 +293416,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.003        0.002      194.4
+76:        Time:        0.003        0.002      195.1
 76:                  (ns/day)    (hour/ns)
-76: Performance:      944.008        0.025
+76: Performance:      847.983        0.028
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -293532,13 +293433,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 19 % of the run time was spent in pair search,
+76: NOTE: 21 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.002        0.001      193.3
+76:        Time:        0.001        0.001      193.8
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1890.913        0.013
+76: Performance:     2005.402        0.012
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -293610,9 +293511,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.003        0.002      194.1
+76:        Time:        0.003        0.002      194.6
 76:                  (ns/day)    (hour/ns)
-76: Performance:      955.575        0.025
+76: Performance:      963.195        0.025
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -293631,9 +293532,9 @@
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      193.5
+76:        Time:        0.001        0.001      193.4
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1916.203        0.013
+76: Performance:     1934.252        0.012
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -293707,7 +293608,7 @@
 76:                Core t (s)   Wall t (s)        (%)
 76:        Time:        0.003        0.002      194.6
 76:                  (ns/day)    (hour/ns)
-76: Performance:      905.570        0.027
+76: Performance:      900.540        0.027
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -293722,13 +293623,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 19 % of the run time was spent in pair search,
+76: NOTE: 20 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      192.8
+76:        Time:        0.001        0.001      193.4
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1973.284        0.012
+76: Performance:     1981.535        0.012
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -293800,9 +293701,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.003        0.002      194.4
+76:        Time:        0.003        0.002      194.3
 76:                  (ns/day)    (hour/ns)
-76: Performance:      945.166        0.025
+76: Performance:      872.729        0.027
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -293817,13 +293718,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 19 % of the run time was spent in pair search,
+76: NOTE: 20 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      193.3
+76:        Time:        0.001        0.001      193.4
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1916.203        0.013
+76: Performance:     2044.671        0.012
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -293897,7 +293798,7 @@
 76:                Core t (s)   Wall t (s)        (%)
 76:        Time:        0.003        0.002      194.5
 76:                  (ns/day)    (hour/ns)
-76: Performance:      958.997        0.025
+76: Performance:      953.505        0.025
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -293912,13 +293813,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 18 % of the run time was spent in pair search,
+76: NOTE: 23 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      193.5
+76:        Time:        0.002        0.001      193.4
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1897.319        0.013
+76: Performance:     1823.740        0.013
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -293990,9 +293891,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.003        0.002      194.5
+76:        Time:        0.003        0.002      194.3
 76:                  (ns/day)    (hour/ns)
-76: Performance:      939.545        0.026
+76: Performance:      960.791        0.025
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -294007,13 +293908,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 19 % of the run time was spent in pair search,
+76: NOTE: 20 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      192.9
+76:        Time:        0.001        0.001      193.4
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1975.182        0.012
+76: Performance:     1928.198        0.012
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -294085,9 +293986,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.003        0.002      194.5
+76:        Time:        0.003        0.002      194.6
 76:                  (ns/day)    (hour/ns)
-76: Performance:      937.115        0.026
+76: Performance:      900.935        0.027
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -294102,13 +294003,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 18 % of the run time was spent in pair search,
+76: NOTE: 20 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.002        0.001      193.4
+76:        Time:        0.001        0.001      193.7
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1799.764        0.013
+76: Performance:     2033.870        0.012
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -294180,9 +294081,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.004        0.002      197.2
+76:        Time:        0.004        0.002      197.3
 76:                  (ns/day)    (hour/ns)
-76: Performance:      743.046        0.032
+76: Performance:      751.109        0.032
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -294197,13 +294098,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 20 % of the run time was spent in pair search,
+76: NOTE: 18 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      193.2
+76:        Time:        0.002        0.001      193.7
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1953.883        0.012
+76: Performance:     1874.800        0.013
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -294277,7 +294178,7 @@
 76:                Core t (s)   Wall t (s)        (%)
 76:        Time:        0.004        0.002      197.3
 76:                  (ns/day)    (hour/ns)
-76: Performance:      726.143        0.033
+76: Performance:      747.826        0.032
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -294296,9 +294197,9 @@
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      188.5
+76:        Time:        0.001        0.001      193.5
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1935.468        0.012
+76: Performance:     2048.751        0.012
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -294372,7 +294273,7 @@
 76:                Core t (s)   Wall t (s)        (%)
 76:        Time:        0.004        0.002      197.1
 76:                  (ns/day)    (hour/ns)
-76: Performance:      742.867        0.032
+76: Performance:      765.291        0.031
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -294393,7 +294294,7 @@
 76:                Core t (s)   Wall t (s)        (%)
 76:        Time:        0.001        0.001      193.1
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1915.012        0.013
+76: Performance:     2136.128        0.011
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -294465,9 +294366,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.004        0.002      197.1
+76:        Time:        0.004        0.002      197.4
 76:                  (ns/day)    (hour/ns)
-76: Performance:      717.600        0.033
+76: Performance:      741.615        0.032
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -294482,13 +294383,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 19 % of the run time was spent in pair search,
+76: NOTE: 22 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      192.6
+76:        Time:        0.001        0.001      193.6
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1927.595        0.012
+76: Performance:     1947.706        0.012
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -294560,9 +294461,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.004        0.002      196.9
+76:        Time:        0.004        0.002      197.6
 76:                  (ns/day)    (hour/ns)
-76: Performance:      716.431        0.033
+76: Performance:      663.285        0.036
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -294577,18 +294478,18 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 20 % of the run time was spent in pair search,
+76: NOTE: 21 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      193.1
+76:        Time:        0.002        0.001      194.7
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1919.188        0.013
+76: Performance:     1718.916        0.014
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 76: 
-76: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/15 (14 ms)
+76: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/15 (13 ms)
 76: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/16
 76: 
 76: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_input.mdp]:
@@ -294655,9 +294556,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.004        0.002      197.3
+76:        Time:        0.004        0.002      197.1
 76:                  (ns/day)    (hour/ns)
-76: Performance:      695.798        0.034
+76: Performance:      718.688        0.033
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -294672,13 +294573,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 19 % of the run time was spent in pair search,
+76: NOTE: 18 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      193.2
+76:        Time:        0.002        0.001      190.5
 76:                  (ns/day)    (hour/ns)
-76: Performance:     2028.513        0.012
+76: Performance:     1822.661        0.013
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -294750,9 +294651,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.004        0.002      197.2
+76:        Time:        0.004        0.002      197.4
 76:                  (ns/day)    (hour/ns)
-76: Performance:      734.979        0.033
+76: Performance:      738.149        0.033
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -294767,13 +294668,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 19 % of the run time was spent in pair search,
+76: NOTE: 20 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      193.0
+76:        Time:        0.001        0.001      193.5
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1952.026        0.012
+76: Performance:     2057.647        0.012
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -294847,7 +294748,7 @@
 76:                Core t (s)   Wall t (s)        (%)
 76:        Time:        0.004        0.002      197.3
 76:                  (ns/day)    (hour/ns)
-76: Performance:      715.932        0.034
+76: Performance:      687.643        0.035
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -294862,13 +294763,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 19 % of the run time was spent in pair search,
+76: NOTE: 21 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      193.5
+76:        Time:        0.001        0.001      193.8
 76:                  (ns/day)    (hour/ns)
-76: Performance:     2013.924        0.012
+76: Performance:     2005.402        0.012
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -294942,7 +294843,7 @@
 76:                Core t (s)   Wall t (s)        (%)
 76:        Time:        0.004        0.002      197.3
 76:                  (ns/day)    (hour/ns)
-76: Performance:      735.067        0.033
+76: Performance:      738.769        0.032
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -294957,13 +294858,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 19 % of the run time was spent in pair search,
+76: NOTE: 23 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      193.3
+76:        Time:        0.002        0.001      194.3
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1990.499        0.012
+76: Performance:     1879.376        0.013
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -295035,9 +294936,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.004        0.002      197.3
+76:        Time:        0.004        0.002      197.5
 76:                  (ns/day)    (hour/ns)
-76: Performance:      735.769        0.033
+76: Performance:      721.128        0.033
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -295052,13 +294953,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 18 % of the run time was spent in pair search,
+76: NOTE: 21 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      193.3
+76:        Time:        0.001        0.001      193.5
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1919.786        0.013
+76: Performance:     2020.529        0.012
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -295129,10 +295030,13 @@
 76: 
 76: Writing final coordinates.
 76: 
+76: NOTE: 11 % of the run time was spent in pair search,
+76:       you might want to increase nstlist (this has no effect on accuracy)
+76: 
 76:                Core t (s)   Wall t (s)        (%)
 76:        Time:        0.004        0.002      197.2
 76:                  (ns/day)    (hour/ns)
-76: Performance:      731.923        0.033
+76: Performance:      667.092        0.036
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Can not increase nstlist because an NVE ensemble is used
 76: Using 1 MPI process
@@ -295147,13 +295051,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 19 % of the run time was spent in pair search,
+76: NOTE: 22 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      193.3
+76:        Time:        0.001        0.001      193.6
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1993.720        0.012
+76: Performance:     1920.983        0.012
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -295220,9 +295124,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.003        0.002      195.2
+76:        Time:        0.003        0.002      195.3
 76:                  (ns/day)    (hour/ns)
-76: Performance:      851.970        0.028
+76: Performance:      844.611        0.028
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 76: 
@@ -295238,13 +295142,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 20 % of the run time was spent in pair search,
+76: NOTE: 19 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.002        0.001      192.6
+76:        Time:        0.002        0.001      193.5
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1865.151        0.013
+76: Performance:     1584.515        0.015
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -295313,7 +295217,7 @@
 76:                Core t (s)   Wall t (s)        (%)
 76:        Time:        0.003        0.002      195.3
 76:                  (ns/day)    (hour/ns)
-76: Performance:      854.096        0.028
+76: Performance:      847.050        0.028
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 76: 
@@ -295329,13 +295233,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 21 % of the run time was spent in pair search,
+76: NOTE: 20 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.002        0.001      192.9
+76:        Time:        0.002        0.001      192.6
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1817.284        0.013
+76: Performance:     1784.645        0.013
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -295404,7 +295308,7 @@
 76:                Core t (s)   Wall t (s)        (%)
 76:        Time:        0.003        0.002      195.4
 76:                  (ns/day)    (hour/ns)
-76: Performance:      843.224        0.028
+76: Performance:      860.779        0.028
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 76: 
@@ -295420,13 +295324,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 21 % of the run time was spent in pair search,
+76: NOTE: 23 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.002        0.001      193.1
+76:        Time:        0.002        0.001      192.8
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1810.874        0.013
+76: Performance:     1883.398        0.013
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -295493,9 +295397,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.003        0.002      195.2
+76:        Time:        0.003        0.002      195.3
 76:                  (ns/day)    (hour/ns)
-76: Performance:      860.538        0.028
+76: Performance:      869.281        0.028
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 76: 
@@ -295511,13 +295415,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 19 % of the run time was spent in pair search,
+76: NOTE: 21 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.002        0.001      192.5
+76:        Time:        0.002        0.001      193.2
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1828.069        0.013
+76: Performance:     1805.038        0.013
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -295584,9 +295488,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.004        0.002      195.0
+76:        Time:        0.003        0.002      195.3
 76:                  (ns/day)    (hour/ns)
-76: Performance:      806.994        0.030
+76: Performance:      841.611        0.029
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 76: 
@@ -295602,13 +295506,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 19 % of the run time was spent in pair search,
+76: NOTE: 22 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.002        0.001      192.7
+76:        Time:        0.002        0.001      192.8
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1856.719        0.013
+76: Performance:     1737.336        0.014
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -295675,9 +295579,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.003        0.002      193.2
+76:        Time:        0.003        0.002      195.5
 76:                  (ns/day)    (hour/ns)
-76: Performance:      826.925        0.029
+76: Performance:      848.333        0.028
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 76: 
@@ -295693,13 +295597,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 19 % of the run time was spent in pair search,
+76: NOTE: 22 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.002        0.001      193.0
+76:        Time:        0.002        0.001      193.5
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1882.822        0.013
+76: Performance:     1803.981        0.013
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -295766,9 +295670,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.003        0.002      194.8
+76:        Time:        0.003        0.002      195.3
 76:                  (ns/day)    (hour/ns)
-76: Performance:      839.432        0.029
+76: Performance:      850.089        0.028
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 76: 
@@ -295784,18 +295688,18 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 19 % of the run time was spent in pair search,
+76: NOTE: 21 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.001        0.001      192.5
+76:        Time:        0.002        0.001      193.5
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1885.704        0.013
+76: Performance:     1852.253        0.013
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 76: 
-76: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/28 (20 ms)
+76: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/28 (19 ms)
 76: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/29
 76: 
 76: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_input.mdp]:
@@ -295857,9 +295761,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.003        0.002      195.4
+76:        Time:        0.003        0.002      195.5
 76:                  (ns/day)    (hour/ns)
-76: Performance:      852.559        0.028
+76: Performance:      845.655        0.028
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 76: 
@@ -295875,13 +295779,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 19 % of the run time was spent in pair search,
+76: NOTE: 22 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.002        0.001      192.7
+76:        Time:        0.002        0.001      193.6
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1857.279        0.013
+76: Performance:     1873.090        0.013
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -295948,9 +295852,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.003        0.002      195.3
+76:        Time:        0.003        0.002      195.5
 76:                  (ns/day)    (hour/ns)
-76: Performance:      856.828        0.028
+76: Performance:      865.130        0.028
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 76: 
@@ -295966,18 +295870,18 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 18 % of the run time was spent in pair search,
+76: NOTE: 20 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.002        0.001      193.0
+76:        Time:        0.002        0.001      193.2
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1850.028        0.013
+76: Performance:     1855.042        0.013
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 76: 
-76: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/30 (20 ms)
+76: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/30 (19 ms)
 76: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/31
 76: 
 76: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_input.mdp]:
@@ -296039,9 +295943,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.003        0.002      195.2
+76:        Time:        0.003        0.002      195.5
 76:                  (ns/day)    (hour/ns)
-76: Performance:      849.972        0.028
+76: Performance:      836.015        0.029
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 76: 
@@ -296057,13 +295961,13 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 19 % of the run time was spent in pair search,
+76: NOTE: 23 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.002        0.001      193.4
+76:        Time:        0.002        0.001      193.6
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1815.677        0.013
+76: Performance:     1727.592        0.014
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -296130,9 +296034,9 @@
 76: Writing final coordinates.
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.003        0.002      195.3
+76:        Time:        0.003        0.002      195.4
 76:                  (ns/day)    (hour/ns)
-76: Performance:      854.333        0.028
+76: Performance:      840.463        0.029
 76: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 76: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
 76: 
@@ -296148,24 +296052,24 @@
 76: 
 76: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 76: 
-76: NOTE: 18 % of the run time was spent in pair search,
+76: NOTE: 22 % of the run time was spent in pair search,
 76:       you might want to increase nstlist (this has no effect on accuracy)
 76: 
 76:                Core t (s)   Wall t (s)        (%)
-76:        Time:        0.002        0.001      192.9
+76:        Time:        0.002        0.001      193.5
 76:                  (ns/day)    (hour/ns)
-76: Performance:     1725.657        0.014
+76: Performance:     1827.527        0.013
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim1.edr as single precision energy file
 76: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim2.edr as single precision energy file
 76: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 76: 
 76: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/32 (20 ms)
-76: [----------] 33 tests from MdrunIsReproduced/MdrunRerunFreeEnergyTest (523 ms total)
+76: [----------] 33 tests from MdrunIsReproduced/MdrunRerunFreeEnergyTest (515 ms total)
 76: 
 76: [----------] Global test environment tear-down
-76: [==========] 46 tests from 3 test suites ran. (1325 ms total)
+76: [==========] 46 tests from 3 test suites ran. (1265 ms total)
 76: [  PASSED  ] 46 tests.
-76/96 Test #76: MdrunNonIntegratorTests ......................   Passed    1.41 sec
+76/96 Test #76: MdrunNonIntegratorTests ......................   Passed    1.34 sec
 test 77
       Start 77: MdrunTpiTests
 
@@ -296202,7 +296106,7 @@
 77: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 77: 
 77: This run will generate roughly 0 Mb of data
-77: [       OK ] Simple/TpiTest.ReproducesOutput/0 (161 ms)
+77: [       OK ] Simple/TpiTest.ReproducesOutput/0 (173 ms)
 77: [ RUN      ] Simple/TpiTest.ReproducesOutput/1
 77: Generating 1-4 interactions: fudge = 0.5
 77: Number of degrees of freedom in T-Coupling group System is 1308.00
@@ -296230,7 +296134,7 @@
 77: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 77: 
 77: This run will generate roughly 0 Mb of data
-77: [       OK ] Simple/TpiTest.ReproducesOutput/1 (147 ms)
+77: [       OK ] Simple/TpiTest.ReproducesOutput/1 (144 ms)
 77: [ RUN      ] Simple/TpiTest.ReproducesOutput/2
 77: Generating 1-4 interactions: fudge = 0.5
 77: Number of degrees of freedom in T-Coupling group System is 1308.00
@@ -296258,13 +296162,13 @@
 77: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 77: 
 77: This run will generate roughly 0 Mb of data
-77: [       OK ] Simple/TpiTest.ReproducesOutput/2 (149 ms)
-77: [----------] 3 tests from Simple/TpiTest (459 ms total)
+77: [       OK ] Simple/TpiTest.ReproducesOutput/2 (146 ms)
+77: [----------] 3 tests from Simple/TpiTest (463 ms total)
 77: 
 77: [----------] Global test environment tear-down
-77: [==========] 3 tests from 1 test suite ran. (463 ms total)
+77: [==========] 3 tests from 1 test suite ran. (469 ms total)
 77: [  PASSED  ] 3 tests.
-77/96 Test #77: MdrunTpiTests ................................   Passed    0.53 sec
+77/96 Test #77: MdrunTpiTests ................................   Passed    0.56 sec
 test 78
       Start 78: MdrunMpiTests
 
@@ -296280,7 +296184,7 @@
 78:   For a correct single-point energy evaluation with nsteps = 0, use
 78:   continuation = yes to avoid constraining the input coordinates.
 78: 
-78: Setting the LD random seed to -1611333193
+78: Setting the LD random seed to -34353329
 78: Generating 1-4 interactions: fudge = 0.5
 78: 
 78: Generated 10 of the 10 non-bonded parameter combinations
@@ -296290,6 +296194,7 @@
 78: Excluding 2 bonded neighbours molecule type 'SOL'
 78: 
 78: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/4water.gro', all velocities are zero
+78: 
 78: Number of degrees of freedom in T-Coupling group rest is 21.00
 78: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
 78: 
@@ -296304,9 +296209,8 @@
 78: 
 78: 
 78: 
-78: This run will generate roughly 0 Mb of data
-78: 
 78: There were 3 NOTEs
+78: This run will generate roughly 0 Mb of data
 78: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 78: Can not increase nstlist because an NVE ensemble is used
 78: Using 2 MPI processes
@@ -296322,35 +296226,31 @@
 78: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 78: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 78: 
-78: NOTE: 10 % of the run time was spent in domain decomposition,
-78:       21 % of the run time was spent in pair search,
+78: NOTE: 19 % of the run time was spent in domain decomposition,
+78:       12 % of the run time was spent in pair search,
 78:       you might want to increase nstlist (this has no effect on accuracy)
 78: 
-78: NOTE: 33 % of the run time was spent communicating energies,
+78: NOTE: 6 % of the run time was spent communicating energies,
 78:       you might want to increase some nst* mdp options
 78: 
 78:                Core t (s)   Wall t (s)        (%)
-78:        Time:        0.004        0.001      385.7
+78:        Time:        0.002        0.000      374.0
 78:                  (ns/day)    (hour/ns)
-78: Performance:       88.323        0.272
+78: Performance:      213.546        0.112
 78: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol.edr as single precision energy file
-78: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] MimicTest.OneQuantumMol (13 ms)
+78: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] MimicTest.OneQuantumMol (9 ms)
 78: [ RUN      ] MimicTest.AllQuantumMol
 78: 
 78: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol_input.mdp]:
 78:   For a correct single-point energy evaluation with nsteps = 0, use
 78:   continuation = yes to avoid constraining the input coordinates.
 78: 
-78: Setting the LD random seed to -839909396
+78: Setting the LD random seed to -1367581774
 78: 
 78: Generated 10 of the 10 non-bonded parameter combinations
 78: 
 78: Generated 10 of the 10 1-4 parameter combinations
 78: Generating 1-4 interactions: fudge = 0.5
-78: 
-78: Excluding 2 bonded neighbours molecule type 'SOL'
-78: 
-78: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/4water.gro', all velocities are zero
 78: Number of degrees of freedom in T-Coupling group rest is 21.00
 78: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
 78: 
@@ -296366,9 +296266,13 @@
 78: 
 78: 
 78: There were 3 NOTEs
+78: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+78: 
+78: Excluding 2 bonded neighbours molecule type 'SOL'
+78: 
+78: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/4water.gro', all velocities are zero
 78: 
 78: This run will generate roughly 0 Mb of data
-78: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 78: Can not increase nstlist because an NVE ensemble is used
 78: Using 2 MPI processes
 78: Using 2 OpenMP threads per MPI process
@@ -296384,34 +296288,30 @@
 78: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 78: 
 78: NOTE: 20 % of the run time was spent in domain decomposition,
-78:       11 % of the run time was spent in pair search,
+78:       12 % of the run time was spent in pair search,
 78:       you might want to increase nstlist (this has no effect on accuracy)
 78: 
 78: NOTE: 7 % of the run time was spent communicating energies,
 78:       you might want to increase some nst* mdp options
 78: 
 78:                Core t (s)   Wall t (s)        (%)
-78:        Time:        0.001        0.000      369.9
+78:        Time:        0.001        0.000      372.9
 78:                  (ns/day)    (hour/ns)
-78: Performance:      214.685        0.112
+78: Performance:      245.853        0.098
 78: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol.edr as single precision energy file
-78: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] MimicTest.AllQuantumMol (8 ms)
+78: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] MimicTest.AllQuantumMol (7 ms)
 78: [ RUN      ] MimicTest.TwoQuantumMol
 78: 
 78: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]:
 78:   For a correct single-point energy evaluation with nsteps = 0, use
 78:   continuation = yes to avoid constraining the input coordinates.
 78: 
-78: Setting the LD random seed to 1043057662
+78: Setting the LD random seed to -537961473
 78: Generating 1-4 interactions: fudge = 0.5
 78: 
 78: Generated 10 of the 10 non-bonded parameter combinations
 78: 
 78: Generated 10 of the 10 1-4 parameter combinations
-78: 
-78: Excluding 2 bonded neighbours molecule type 'SOL'
-78: 
-78: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/4water.gro', all velocities are zero
 78: Number of degrees of freedom in T-Coupling group rest is 21.00
 78: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
 78: 
@@ -296427,8 +296327,6 @@
 78: 
 78: 
 78: There were 3 NOTEs
-78: 
-78: This run will generate roughly 0 Mb of data
 78: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 78: Can not increase nstlist because an NVE ensemble is used
 78: Using 2 MPI processes
@@ -296441,29 +296339,35 @@
 78:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 78: starting md rerun 'Generated by gmx solvate', reading coordinates from input trajectory '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/4water.gro'
 78: 
+78: 
+78: Excluding 2 bonded neighbours molecule type 'SOL'
+78: 
+78: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/4water.gro', all velocities are zero
+78: 
+78: This run will generate roughly 0 Mb of data
 78: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 78: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 78: 
-78: NOTE: 25 % of the run time was spent in domain decomposition,
-78:       10 % of the run time was spent in pair search,
+78: NOTE: 17 % of the run time was spent in domain decomposition,
+78:       11 % of the run time was spent in pair search,
 78:       you might want to increase nstlist (this has no effect on accuracy)
 78: 
-78: NOTE: 5 % of the run time was spent communicating energies,
+78: NOTE: 17 % of the run time was spent communicating energies,
 78:       you might want to increase some nst* mdp options
 78: 
 78:                Core t (s)   Wall t (s)        (%)
-78:        Time:        0.001        0.000      373.1
+78:        Time:        0.001        0.000      373.8
 78:                  (ns/day)    (hour/ns)
-78: Performance:      215.707        0.111
+78: Performance:      235.393        0.102
 78: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol.edr as single precision energy file
-78: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] MimicTest.TwoQuantumMol (8 ms)
+78: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] MimicTest.TwoQuantumMol (6 ms)
 78: [ RUN      ] MimicTest.BondCuts
 78: 
 78: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]:
 78:   For a correct single-point energy evaluation with nsteps = 0, use
 78:   continuation = yes to avoid constraining the input coordinates.
 78: 
-78: Setting the LD random seed to -159645730
+78: Setting the LD random seed to -1073775302
 78: Generating 1-4 interactions: fudge = 0.5
 78: 
 78: Generated 2211 of the 2211 non-bonded parameter combinations
@@ -296483,21 +296387,21 @@
 78: 
 78: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300.368 K
 78: 
-78: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]:
-78:   You are using a plain Coulomb cut-off, which might produce artifacts.
-78:   You might want to consider using PME electrostatics.
-78: 
-78: 
-78: 
 78: Calculated rlist for 1x1 atom pair-list as 1.048 nm, buffer size 0.048 nm
 78: 
 78: Set rlist, assuming 4x4 atom pair-list, to 1.036 nm, buffer size 0.036 nm
 78: 
 78: Note that mdrun will redetermine rlist based on the actual pair-list setup
 78: 
-78: There were 3 NOTEs
-78: 
 78: This run will generate roughly 0 Mb of data
+78: 
+78: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]:
+78:   You are using a plain Coulomb cut-off, which might produce artifacts.
+78:   You might want to consider using PME electrostatics.
+78: 
+78: 
+78: 
+78: There were 3 NOTEs
 78: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 78: Can not increase nstlist because an NVE ensemble is used
 78: Using 2 MPI processes
@@ -296513,23 +296417,20 @@
 78: Reading frames from gro file 'Alanine dipeptide in water', 23 atoms.
 78: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 78: 
-78: NOTE: 15 % of the run time was spent in domain decomposition,
-78:       9 % of the run time was spent in pair search,
+78: NOTE: 16 % of the run time was spent in domain decomposition,
+78:       11 % of the run time was spent in pair search,
 78:       you might want to increase nstlist (this has no effect on accuracy)
 78: 
-78: NOTE: 6 % of the run time was spent communicating energies,
-78:       you might want to increase some nst* mdp options
-78: 
 78:                Core t (s)   Wall t (s)        (%)
-78:        Time:        0.002        0.000      380.5
+78:        Time:        0.002        0.000      380.0
 78:                  (ns/day)    (hour/ns)
-78: Performance:      175.109        0.137
+78: Performance:      198.134        0.121
 78: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts.edr as single precision energy file
-78: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] MimicTest.BondCuts (17 ms)
-78: [----------] 4 tests from MimicTest (48 ms total)
+78: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] MimicTest.BondCuts (13 ms)
+78: [----------] 4 tests from MimicTest (38 ms total)
 78: 
 78: [----------] 12 tests from DomainDecomposition/DomDecSpecialCasesTest
-78: Setting the LD random seed to -687342595
+78: Setting the LD random seed to -1611145225
 78: Generating 1-4 interactions: fudge = 0.5
 78: 
 78: Generated 3 of the 3 non-bonded parameter combinations
@@ -296539,6 +296440,8 @@
 78: Excluding 2 bonded neighbours molecule type 'SOL'
 78: 
 78: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/spc2_and_vacuum.gro', all velocities are zero
+78: 
+78: This run will generate roughly 0 Mb of data
 78: Number of degrees of freedom in T-Coupling group rest is 9.00
 78: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
 78: 
@@ -296548,14 +296451,12 @@
 78: 
 78: 
 78: There was 1 NOTE
-78: 
-78: This run will generate roughly 0 Mb of data
-78: Setting the LD random seed to -1108449793
-78: Generating 1-4 interactions: fudge = 0.5
+78: Setting the LD random seed to -8558637
 78: 
 78: Generated 3 of the 3 non-bonded parameter combinations
 78: 
 78: Generated 3 of the 3 1-4 parameter combinations
+78: Generating 1-4 interactions: fudge = 0.5
 78: 
 78: Excluding 2 bonded neighbours molecule type 'SOL'
 78: 
@@ -296571,7 +296472,7 @@
 78: Note that mdrun will redetermine rlist based on the actual pair-list setup
 78: 
 78: This run will generate roughly 0 Mb of data
-78: Setting the LD random seed to -69470209
+78: Setting the LD random seed to -273486209
 78: Generating 1-4 interactions: fudge = 0.5
 78: 
 78: Generated 3 of the 3 non-bonded parameter combinations
@@ -296581,10 +296482,6 @@
 78: Excluding 2 bonded neighbours molecule type 'SOL'
 78: 
 78: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/spc2_and_vacuum.gro', all velocities are zero
-78: 
-78: The largest distance between excluded atoms is 0.164 nm between atom 2 and 3
-78: Calculating fourier grid dimensions for X Y Z
-78: Using a fourier grid of 28x28x28, spacing 0.108 0.108 0.108
 78: Number of degrees of freedom in T-Coupling group rest is 9.00
 78: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
 78: 
@@ -296593,6 +296490,12 @@
 78:   buffer of 10%. Check your energy drift!
 78: 
 78: 
+78: The largest distance between excluded atoms is 0.164 nm between atom 2 and 3
+78: Calculating fourier grid dimensions for X Y Z
+78: Using a fourier grid of 28x28x28, spacing 0.108 0.108 0.108
+78: 
+78: Estimate for the relative computational load of the PME mesh part: 1.00
+78: 
 78: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/DomainDecomposition_DomDecSpecialCasesTest_input.mdp]:
 78:   The optimal PME mesh load for parallel simulations is below 0.5
 78:   and for highly parallel simulations between 0.25 and 0.33,
@@ -296602,10 +296505,8 @@
 78: 
 78: There were 2 NOTEs
 78: 
-78: Estimate for the relative computational load of the PME mesh part: 1.00
-78: 
 78: This run will generate roughly 0 Mb of data
-78: Setting the LD random seed to 2080112063
+78: Setting the LD random seed to 1606401631
 78: Generating 1-4 interactions: fudge = 0.5
 78: 
 78: Generated 3 of the 3 non-bonded parameter combinations
@@ -296626,6 +296527,12 @@
 78: Set rlist, assuming 4x4 atom pair-list, to 1.000 nm, buffer size 0.000 nm
 78: 
 78: Note that mdrun will redetermine rlist based on the actual pair-list setup
+78: Calculating fourier grid dimensions for X Y Z
+78: Using a fourier grid of 28x28x28, spacing 0.108 0.108 0.108
+78: 
+78: Estimate for the relative computational load of the PME mesh part: 1.00
+78: 
+78: This run will generate roughly 0 Mb of data
 78: 
 78: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/DomainDecomposition_DomDecSpecialCasesTest_input.mdp]:
 78:   The optimal PME mesh load for parallel simulations is below 0.5
@@ -296635,12 +296542,6 @@
 78: 
 78: 
 78: There was 1 NOTE
-78: Calculating fourier grid dimensions for X Y Z
-78: Using a fourier grid of 28x28x28, spacing 0.108 0.108 0.108
-78: 
-78: Estimate for the relative computational load of the PME mesh part: 1.00
-78: 
-78: This run will generate roughly 0 Mb of data
 78: [ RUN      ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_No_coupling_nbcpu_pmecpu_updatecpu_npme0
 78: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/DomainDecomposition_DomDecSpecialCasesTest_RF_No.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 78: Can not increase nstlist because an NVE ensemble is used
@@ -296659,19 +296560,20 @@
 78: 
 78: 
 78: Dynamic load balancing report:
-78:  DLB was off during the run due to low measured imbalance.
-78:  Average load imbalance: 1.4%.
-78:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
-78:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+78:  DLB was turned on during the run due to measured imbalance.
+78:  Average load imbalance: 8.0%.
+78:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+78:  Part of the total run time spent waiting due to load imbalance: 3.7%.
+78:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 78: 
 78: 
-78: NOTE: 33 % of the run time was spent communicating energies,
+78: NOTE: 32 % of the run time was spent communicating energies,
 78:       you might want to increase some nst* mdp options
 78: 
 78:                Core t (s)   Wall t (s)        (%)
 78:        Time:        0.009        0.002      394.5
 78:                  (ns/day)    (hour/ns)
-78: Performance:      823.921        0.029
+78: Performance:      779.329        0.031
 78: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_No_coupling_nbcpu_pmecpu_updatecpu_npme0 (4 ms)
 78: [ RUN      ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_No_coupling_nbcpu_pmecpu_updatecpu_npme1
 78: [  SKIPPED ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_No_coupling_nbcpu_pmecpu_updatecpu_npme1 (0 ms)
@@ -296694,13 +296596,13 @@
 78: 
 78: Writing final coordinates.
 78: 
-78: NOTE: 21 % of the run time was spent communicating energies,
+78: NOTE: 24 % of the run time was spent communicating energies,
 78:       you might want to increase some nst* mdp options
 78: 
 78:                Core t (s)   Wall t (s)        (%)
-78:        Time:        0.004        0.001      364.1
+78:        Time:        0.005        0.001      385.8
 78:                  (ns/day)    (hour/ns)
-78: Performance:     1784.534        0.013
+78: Performance:     1461.662        0.016
 78: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme0 (3 ms)
 78: [ RUN      ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme1
 78: [  SKIPPED ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme1 (0 ms)
@@ -296725,19 +296627,16 @@
 78: 
 78: Dynamic load balancing report:
 78:  DLB was off during the run due to low measured imbalance.
-78:  Average load imbalance: 7.0%.
-78:  The balanceable part of the MD step is 9%, load imbalance is computed from this.
-78:  Part of the total run time spent waiting due to load imbalance: 0.6%.
-78: 
+78:  Average load imbalance: 1.6%.
+78:  The balanceable part of the MD step is 6%, load imbalance is computed from this.
+78:  Part of the total run time spent waiting due to load imbalance: 0.1%.
 78: 
-78: NOTE: 5 % of the run time was spent communicating energies,
-78:       you might want to increase some nst* mdp options
 78: 
 78:                Core t (s)   Wall t (s)        (%)
-78:        Time:        0.022        0.005      397.9
+78:        Time:        0.034        0.009      398.1
 78:                  (ns/day)    (hour/ns)
-78: Performance:      331.966        0.072
-78: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme0 (9719 ms)
+78: Performance:      209.984        0.114
+78: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme0 (9765 ms)
 78: [ RUN      ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme1
 78: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/DomainDecomposition_DomDecSpecialCasesTest_PME_No.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 78: Can not increase nstlist because an NVE ensemble is used
@@ -296755,10 +296654,10 @@
 78: Writing final coordinates.
 78: 
 78:                Core t (s)   Wall t (s)        (%)
-78:        Time:        0.027        0.007      392.0
+78:        Time:        0.065        0.016      396.7
 78:                  (ns/day)    (hour/ns)
-78: Performance:      259.679        0.092
-78: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme1 (5463 ms)
+78: Performance:      110.566        0.217
+78: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme1 (5081 ms)
 78: [ RUN      ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme2
 78: [  SKIPPED ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme2 (0 ms)
 78: [ RUN      ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme0
@@ -296779,10 +296678,10 @@
 78: Writing final coordinates.
 78: 
 78:                Core t (s)   Wall t (s)        (%)
-78:        Time:        0.027        0.007      398.2
+78:        Time:        0.033        0.008      397.3
 78:                  (ns/day)    (hour/ns)
-78: Performance:      272.462        0.088
-78: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme0 (17 ms)
+78: Performance:      220.491        0.109
+78: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme0 (20 ms)
 78: [ RUN      ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme1
 78: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/DomainDecomposition_DomDecSpecialCasesTest_PME_TemperatureAndPressure.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 78: Changing nstlist from 10 to 100, rlist from 1 to 1
@@ -296801,16 +296700,16 @@
 78: Writing final coordinates.
 78: 
 78:                Core t (s)   Wall t (s)        (%)
-78:        Time:        0.049        0.012      395.2
+78:        Time:        0.046        0.012      395.5
 78:                  (ns/day)    (hour/ns)
-78: Performance:      145.707        0.165
+78: Performance:      157.135        0.153
 78: [       OK ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme1 (23 ms)
 78: [ RUN      ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme2
 78: [  SKIPPED ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme2 (0 ms)
-78: [----------] 12 tests from DomainDecomposition/DomDecSpecialCasesTest (15232 ms total)
+78: [----------] 12 tests from DomainDecomposition/DomDecSpecialCasesTest (14899 ms total)
 78: 
 78: [----------] Global test environment tear-down
-78: [==========] 16 tests from 2 test suites ran. (15315 ms total)
+78: [==========] 16 tests from 2 test suites ran. (14967 ms total)
 78: [  PASSED  ] 10 tests.
 78: [  SKIPPED ] 6 tests, listed below:
 78: [  SKIPPED ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_No_coupling_nbcpu_pmecpu_updatecpu_npme1
@@ -296819,7 +296718,7 @@
 78: [  SKIPPED ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/RF_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme2
 78: [  SKIPPED ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_No_coupling_nbcpu_pmecpu_updatecpu_npme2
 78: [  SKIPPED ] DomainDecomposition/DomDecSpecialCasesTest.EmptyDomain/PME_TemperatureAndPressure_coupling_nbcpu_pmecpu_updatecpu_npme2
-78/96 Test #78: MdrunMpiTests ................................   Passed   15.51 sec
+78/96 Test #78: MdrunMpiTests ................................   Passed   15.16 sec
 test 79
       Start 79: MdrunMultiSimTests
 
@@ -296829,34 +296728,52 @@
 79: [==========] Running 6 tests from 2 test suites.
 79: [----------] Global test environment set-up.
 79: [----------] 4 tests from InNvt/MultiSimTest
+79: [ RUN      ] InNvt/MultiSimTest.ExitsNormally/0
 79: 
-79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormally_0_input.mdp]:
+79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_MultiSimTest_ExitsNormally_0_input.mdp]:
 79:   You have set rlist larger than the interaction cut-off, but you also have
 79:   verlet-buffer-tolerance > 0. Will set rlist using
 79:   verlet-buffer-tolerance.
 79: 
+79: Setting the LD random seed to -810059849
 79: Generating 1-4 interactions: fudge = 0.5
+79: 
+79: Generated 3 of the 3 non-bonded parameter combinations
+79: 
+79: Generated 3 of the 3 1-4 parameter combinations
+79: 
+79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormally_0_input.mdp]:
+79:   You have set rlist larger than the interaction cut-off, but you also have
+79:   verlet-buffer-tolerance > 0. Will set rlist using
+79:   verlet-buffer-tolerance.
+79: 
+79: 
+79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTest_ExitsNormally_0_input.mdp]:
+79:   You have set rlist larger than the interaction cut-off, but you also have
+79:   verlet-buffer-tolerance > 0. Will set rlist using
+79:   verlet-buffer-tolerance.
+79: 
+79: 
+79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_MultiSimTest_ExitsNormally_0_input.mdp]:
+79:   You have set rlist larger than the interaction cut-off, but you also have
+79:   verlet-buffer-tolerance > 0. Will set rlist using
+79:   verlet-buffer-tolerance.
+79: 
 79: Number of degrees of freedom in T-Coupling group System is 9.00
 79: 
-79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormally_0_input.mdp]:
+79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_MultiSimTest_ExitsNormally_0_input.mdp]:
 79:   You are using a plain Coulomb cut-off, which might produce artifacts.
 79:   You might want to consider using PME electrostatics.
 79: 
 79: 
 79: 
 79: There were 2 NOTEs
-79: [ RUN      ] InNvt/MultiSimTest.ExitsNormally/0
-79: Setting the LD random seed to 2077222843
-79: 
-79: Generated 3 of the 3 non-bonded parameter combinations
-79: 
-79: Generated 3 of the 3 1-4 parameter combinations
 79: 
 79: Excluding 2 bonded neighbours molecule type 'SOL'
 79: 
-79: Setting gen_seed to 1073217479
+79: Setting gen_seed to 1932513279
 79: 
-79: Velocities were taken from a Maxwell distribution at 298 K
+79: Velocities were taken from a Maxwell distribution at 278 K
 79: 
 79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 79: 
@@ -296867,89 +296784,73 @@
 79: Note that mdrun will redetermine rlist based on the actual pair-list setup
 79: 
 79: This run will generate roughly 0 Mb of data
-79: Setting the LD random seed to -673202378
-79: 
-79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_MultiSimTest_ExitsNormally_0_input.mdp]:
-79:   You have set rlist larger than the interaction cut-off, but you also have
-79:   verlet-buffer-tolerance > 0. Will set rlist using
-79:   verlet-buffer-tolerance.
-79: 
+79: Setting the LD random seed to -275186723
+79: Setting the LD random seed to -47465005
+79: Setting the LD random seed to 2130675646
+79: Generating 1-4 interactions: fudge = 0.5
 79: Generating 1-4 interactions: fudge = 0.5
+79: Generating 1-4 interactions: fudge = 0.5
+79: Number of degrees of freedom in T-Coupling group System is 9.00
 79: 
 79: Generated 3 of the 3 non-bonded parameter combinations
 79: 
 79: Generated 3 of the 3 1-4 parameter combinations
 79: 
-79: Excluding 2 bonded neighbours molecule type 'SOL'
-79: 
-79: Setting gen_seed to -407225972
-79: 
-79: Velocities were taken from a Maxwell distribution at 278 K
+79: Generated 3 of the 3 non-bonded parameter combinations
 79: 
-79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
-79: Number of degrees of freedom in T-Coupling group System is 9.00
+79: Generated 3 of the 3 1-4 parameter combinations
 79: 
-79: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
+79: Generated 3 of the 3 non-bonded parameter combinations
 79: 
-79: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
+79: Generated 3 of the 3 1-4 parameter combinations
 79: 
-79: Note that mdrun will redetermine rlist based on the actual pair-list setup
+79: Excluding 2 bonded neighbours molecule type 'SOL'
 79: 
-79: This run will generate roughly 0 Mb of data
+79: Excluding 2 bonded neighbours molecule type 'SOL'
 79: 
-79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_MultiSimTest_ExitsNormally_0_input.mdp]:
-79:   You are using a plain Coulomb cut-off, which might produce artifacts.
-79:   You might want to consider using PME electrostatics.
+79: Excluding 2 bonded neighbours molecule type 'SOL'
 79: 
+79: Setting gen_seed to -538249819
 79: 
+79: Velocities were taken from a Maxwell distribution at 298 K
 79: 
-79: There were 2 NOTEs
+79: Setting gen_seed to -1074292611
 79: 
-79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTest_ExitsNormally_0_input.mdp]:
-79:   You have set rlist larger than the interaction cut-off, but you also have
-79:   verlet-buffer-tolerance > 0. Will set rlist using
-79:   verlet-buffer-tolerance.
+79: Velocities were taken from a Maxwell distribution at 288 K
 79: 
+79: Setting gen_seed to -671103137
 79: 
-79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_MultiSimTest_ExitsNormally_0_input.mdp]:
-79:   You have set rlist larger than the interaction cut-off, but you also have
-79:   verlet-buffer-tolerance > 0. Will set rlist using
-79:   verlet-buffer-tolerance.
+79: Velocities were taken from a Maxwell distribution at 268 K
+79: Number of degrees of freedom in T-Coupling group System is 9.00
 79: 
-79: Setting the LD random seed to 1994391293
-79: Generating 1-4 interactions: fudge = 0.5
-79: Generating 1-4 interactions: fudge = 0.5
+79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 79: Number of degrees of freedom in T-Coupling group System is 9.00
 79: 
-79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTest_ExitsNormally_0_input.mdp]:
-79:   You are using a plain Coulomb cut-off, which might produce artifacts.
-79:   You might want to consider using PME electrostatics.
+79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 79: 
+79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 79: 
+79: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
 79: 
-79: There were 2 NOTEs
-79: Number of degrees of freedom in T-Coupling group System is 9.00
+79: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
 79: 
-79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_MultiSimTest_ExitsNormally_0_input.mdp]:
+79: Note that mdrun will redetermine rlist based on the actual pair-list setup
+79: 
+79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormally_0_input.mdp]:
 79:   You are using a plain Coulomb cut-off, which might produce artifacts.
 79:   You might want to consider using PME electrostatics.
 79: 
 79: 
 79: 
 79: There were 2 NOTEs
-79: Setting the LD random seed to -692068440
-79: 
-79: Generated 3 of the 3 non-bonded parameter combinations
-79: 
-79: Generated 3 of the 3 1-4 parameter combinations
 79: 
-79: Excluding 2 bonded neighbours molecule type 'SOL'
+79: This run will generate roughly 0 Mb of data
 79: 
-79: Setting gen_seed to 1046462207
+79: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
 79: 
-79: Velocities were taken from a Maxwell distribution at 268 K
+79: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
 79: 
-79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+79: Note that mdrun will redetermine rlist based on the actual pair-list setup
 79: 
 79: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
 79: 
@@ -296959,29 +296860,27 @@
 79: 
 79: This run will generate roughly 0 Mb of data
 79: 
-79: Generated 3 of the 3 non-bonded parameter combinations
-79: 
-79: Generated 3 of the 3 1-4 parameter combinations
+79: This run will generate roughly 0 Mb of data
 79: 
-79: Excluding 2 bonded neighbours molecule type 'SOL'
+79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTest_ExitsNormally_0_input.mdp]:
+79:   You are using a plain Coulomb cut-off, which might produce artifacts.
+79:   You might want to consider using PME electrostatics.
 79: 
-79: Setting gen_seed to -1698711753
 79: 
-79: Velocities were taken from a Maxwell distribution at 288 K
 79: 
-79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+79: There were 2 NOTEs
 79: 
-79: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
+79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_MultiSimTest_ExitsNormally_0_input.mdp]:
+79:   You are using a plain Coulomb cut-off, which might produce artifacts.
+79:   You might want to consider using PME electrostatics.
 79: 
-79: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
 79: 
-79: Note that mdrun will redetermine rlist based on the actual pair-list setup
 79: 
-79: This run will generate roughly 0 Mb of data
-79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormally_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_MultiSimTest_ExitsNormally_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+79: There were 2 NOTEs
 79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_MultiSimTest_ExitsNormally_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTest_ExitsNormally_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormally_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_MultiSimTest_ExitsNormally_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 79: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 79: 
 79: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
@@ -296990,7 +296889,7 @@
 79: 
 79: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 79: 
-79: This is simulation 3 out of 4 running as a composite GROMACS
+79: This is simulation 2 out of 4 running as a composite GROMACS
 79: multi-simulation job. Setup for this simulation:
 79: 
 79: Using 1 MPI process
@@ -297002,7 +296901,7 @@
 79: multi-simulation job. Setup for this simulation:
 79: 
 79: Using 1 MPI process
-79: This is simulation 2 out of 4 running as a composite GROMACS
+79: This is simulation 3 out of 4 running as a composite GROMACS
 79: multi-simulation job. Setup for this simulation:
 79: 
 79: Using 1 MPI process
@@ -297050,16 +296949,16 @@
 79: Writing final coordinates.
 79: 
 79: Writing final coordinates.
-79: [       OK ] InNvt/MultiSimTest.ExitsNormally/0 (29 ms)
+79: [       OK ] InNvt/MultiSimTest.ExitsNormally/0 (24 ms)
 79: [ RUN      ] InNvt/MultiSimTest.ExitsNormally/1
 79: 
-79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormally_1_input.mdp]:
+79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTest_ExitsNormally_1_input.mdp]:
 79:   You have set rlist larger than the interaction cut-off, but you also have
 79:   verlet-buffer-tolerance > 0. Will set rlist using
 79:   verlet-buffer-tolerance.
 79: 
 79: Generating 1-4 interactions: fudge = 0.5
-79: Setting the LD random seed to -562303026
+79: Setting the LD random seed to -420495888
 79: 
 79: Generated 3 of the 3 non-bonded parameter combinations
 79: 
@@ -297067,9 +296966,20 @@
 79: 
 79: Excluding 2 bonded neighbours molecule type 'SOL'
 79: 
-79: Setting gen_seed to -2566313
+79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormally_1_input.mdp]:
+79:   You have set rlist larger than the interaction cut-off, but you also have
+79:   verlet-buffer-tolerance > 0. Will set rlist using
+79:   verlet-buffer-tolerance.
 79: 
-79: Velocities were taken from a Maxwell distribution at 298 K
+79: Setting the LD random seed to -1095911483
+79: 
+79: Generated 3 of the 3 non-bonded parameter combinations
+79: 
+79: Generated 3 of the 3 1-4 parameter combinations
+79: 
+79: Setting gen_seed to -687882305
+79: 
+79: Velocities were taken from a Maxwell distribution at 278 K
 79: 
 79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 79: 
@@ -297080,82 +296990,64 @@
 79: Note that mdrun will redetermine rlist based on the actual pair-list setup
 79: 
 79: This run will generate roughly 0 Mb of data
-79: Number of degrees of freedom in T-Coupling group System is 9.00
 79: 
-79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormally_1_input.mdp]:
-79:   You are using a plain Coulomb cut-off, which might produce artifacts.
-79:   You might want to consider using PME electrostatics.
-79: 
-79: 
-79: 
-79: There were 2 NOTEs
+79: Excluding 2 bonded neighbours molecule type 'SOL'
 79: 
-79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTest_ExitsNormally_1_input.mdp]:
-79:   You have set rlist larger than the interaction cut-off, but you also have
-79:   verlet-buffer-tolerance > 0. Will set rlist using
-79:   verlet-buffer-tolerance.
+79: Setting gen_seed to -1375994435
 79: 
-79: Setting the LD random seed to -33628163
-79: Generating 1-4 interactions: fudge = 0.5
+79: Velocities were taken from a Maxwell distribution at 298 K
 79: 
-79: Generated 3 of the 3 non-bonded parameter combinations
+79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 79: 
-79: Generated 3 of the 3 1-4 parameter combinations
+79: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
 79: 
-79: Excluding 2 bonded neighbours molecule type 'SOL'
+79: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
 79: 
-79: Setting gen_seed to -151765025
+79: Note that mdrun will redetermine rlist based on the actual pair-list setup
 79: 
-79: Velocities were taken from a Maxwell distribution at 278 K
+79: This run will generate roughly 0 Mb of data
+79: Generating 1-4 interactions: fudge = 0.5
 79: Number of degrees of freedom in T-Coupling group System is 9.00
 79: 
-79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTest_ExitsNormally_1_input.mdp]:
+79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormally_1_input.mdp]:
 79:   You are using a plain Coulomb cut-off, which might produce artifacts.
 79:   You might want to consider using PME electrostatics.
 79: 
 79: 
 79: 
 79: There were 2 NOTEs
+79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormally_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+79: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 79: 
-79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+79: This is simulation 0 out of 2 running as a composite GROMACS
+79: multi-simulation job. Setup for this simulation:
 79: 
-79: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
+79: Using 2 MPI processes
+79: Number of degrees of freedom in T-Coupling group System is 9.00
 79: 
-79: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
+79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTest_ExitsNormally_1_input.mdp]:
+79:   You are using a plain Coulomb cut-off, which might produce artifacts.
+79:   You might want to consider using PME electrostatics.
 79: 
-79: Note that mdrun will redetermine rlist based on the actual pair-list setup
 79: 
-79: This run will generate roughly 0 Mb of data
-79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormally_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTest_ExitsNormally_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-79: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 79: 
+79: There were 2 NOTEs
+79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTest_ExitsNormally_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 79: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 79: 
-79: This is simulation 0 out of 2 running as a composite GROMACS
-79: multi-simulation job. Setup for this simulation:
-79: 
-79: Using 2 MPI processes
 79: This is simulation 1 out of 2 running as a composite GROMACS
 79: multi-simulation job. Setup for this simulation:
 79: 
 79: Using 2 MPI processes
 79: Using 1 OpenMP thread per MPI process
 79: 
+79: Using 1 OpenMP thread per MPI process
+79: 
 79: 
 79: NOTE: The number of threads is not equal to the number of (logical) cpus
 79:       and the -pin option is set to auto: will not pin threads to cpus.
 79:       This can lead to significant performance degradation.
 79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-79: starting mdrun 'spc2'
-79: 2 steps,      0.0 ps.
-79: 
-79: Writing final coordinates.
-79: 
-79: NOTE: 34 % of the run time was spent communicating energies,
-79:       you might want to increase some nst* mdp options
-79: Using 1 OpenMP thread per MPI process
-79: 
 79: 
 79: NOTE: The number of threads is not equal to the number of (logical) cpus
 79:       and the -pin option is set to auto: will not pin threads to cpus.
@@ -297163,18 +297055,34 @@
 79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 79: starting mdrun 'spc2'
 79: 2 steps,      0.0 ps.
+79: starting mdrun 'spc2'
+79: 2 steps,      0.0 ps.
 79: 
 79: Writing final coordinates.
 79: 
-79: NOTE: 15 % of the run time was spent in domain decomposition,
-79:       3 % of the run time was spent in pair search,
-79:       you might want to increase nstlist (this has no effect on accuracy)
+79: Writing final coordinates.
 79: 
-79: NOTE: 26 % of the run time was spent communicating energies,
+79: NOTE: 32 % of the run time was spent communicating energies,
 79:       you might want to increase some nst* mdp options
-79: [       OK ] InNvt/MultiSimTest.ExitsNormally/1 (11 ms)
+79: 
+79: NOTE: 34 % of the run time was spent communicating energies,
+79:       you might want to increase some nst* mdp options
+79: [       OK ] InNvt/MultiSimTest.ExitsNormally/1 (16 ms)
 79: [ RUN      ] InNvt/MultiSimTest.ExitsNormallyWithDifferentNumbersOfStepsPerSimulation/0
 79: 
+79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_0_input.mdp]:
+79:   You have set rlist larger than the interaction cut-off, but you also have
+79:   verlet-buffer-tolerance > 0. Will set rlist using
+79:   verlet-buffer-tolerance.
+79: 
+79: Setting the LD random seed to -133173
+79: 
+79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_0_input.mdp]:
+79:   You have set rlist larger than the interaction cut-off, but you also have
+79:   verlet-buffer-tolerance > 0. Will set rlist using
+79:   verlet-buffer-tolerance.
+79: 
+79: 
 79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_0_input.mdp]:
 79:   You have set rlist larger than the interaction cut-off, but you also have
 79:   verlet-buffer-tolerance > 0. Will set rlist using
@@ -297185,7 +297093,6 @@
 79:   For a correct single-point energy evaluation with nsteps = 0, use
 79:   continuation = yes to avoid constraining the input coordinates.
 79: 
-79: Generating 1-4 interactions: fudge = 0.5
 79: 
 79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_0_input.mdp]:
 79:   You have set rlist larger than the interaction cut-off, but you also have
@@ -297193,32 +297100,9 @@
 79:   verlet-buffer-tolerance.
 79: 
 79: Generating 1-4 interactions: fudge = 0.5
-79: Setting the LD random seed to -1108345045
-79: 
-79: Generated 3 of the 3 non-bonded parameter combinations
-79: 
-79: Generated 3 of the 3 1-4 parameter combinations
-79: 
-79: Excluding 2 bonded neighbours molecule type 'SOL'
-79: 
-79: Setting gen_seed to -274483731
-79: 
-79: Velocities were taken from a Maxwell distribution at 298 K
-79: Setting the LD random seed to -1769506308
-79: 
-79: Generated 3 of the 3 non-bonded parameter combinations
-79: 
-79: Generated 3 of the 3 1-4 parameter combinations
-79: 
-79: Excluding 2 bonded neighbours molecule type 'SOL'
-79: 
-79: Setting gen_seed to 2142601007
-79: 
-79: Velocities were taken from a Maxwell distribution at 268 K
-79: Number of degrees of freedom in T-Coupling group System is 9.00
 79: Number of degrees of freedom in T-Coupling group System is 9.00
 79: 
-79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_0_input.mdp]:
+79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_0_input.mdp]:
 79:   You are using a plain Coulomb cut-off, which might produce artifacts.
 79:   You might want to consider using PME electrostatics.
 79: 
@@ -297226,20 +297110,15 @@
 79: 
 79: There were 2 NOTEs
 79: 
-79: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_0_input.mdp]:
-79:   You are using a plain Coulomb cut-off, which might produce artifacts.
-79:   You might want to consider using PME electrostatics.
-79: 
-79: 
-79: 
-79: There were 3 NOTEs
+79: Generated 3 of the 3 non-bonded parameter combinations
 79: 
-79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+79: Generated 3 of the 3 1-4 parameter combinations
 79: 
-79: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
+79: Excluding 2 bonded neighbours molecule type 'SOL'
 79: 
-79: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
+79: Setting gen_seed to -155789473
 79: 
+79: Velocities were taken from a Maxwell distribution at 278 K
 79: 
 79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 79: 
@@ -297250,52 +297129,47 @@
 79: Note that mdrun will redetermine rlist based on the actual pair-list setup
 79: 
 79: This run will generate roughly 0 Mb of data
-79: Note that mdrun will redetermine rlist based on the actual pair-list setup
+79: Setting the LD random seed to -1249945667
+79: Setting the LD random seed to 1872681978
+79: Setting the LD random seed to -241713670
+79: Generating 1-4 interactions: fudge = 0.5
+79: Generating 1-4 interactions: fudge = 0.5
+79: Generating 1-4 interactions: fudge = 0.5
 79: 
-79: This run will generate roughly 0 Mb of data
+79: Generated 3 of the 3 non-bonded parameter combinations
 79: 
-79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_0_input.mdp]:
-79:   You have set rlist larger than the interaction cut-off, but you also have
-79:   verlet-buffer-tolerance > 0. Will set rlist using
-79:   verlet-buffer-tolerance.
+79: Generated 3 of the 3 1-4 parameter combinations
 79: 
-79: Setting the LD random seed to -144183841
+79: Excluding 2 bonded neighbours molecule type 'SOL'
 79: 
 79: Generated 3 of the 3 non-bonded parameter combinations
 79: 
 79: Generated 3 of the 3 1-4 parameter combinations
-79: Generating 1-4 interactions: fudge = 0.5
 79: 
 79: Excluding 2 bonded neighbours molecule type 'SOL'
 79: 
-79: Setting gen_seed to 1877278491
+79: Setting gen_seed to -17306131
 79: 
 79: Velocities were taken from a Maxwell distribution at 288 K
-79: Setting the LD random seed to -135342103
 79: 
-79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
-79: 
-79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_0_input.mdp]:
-79:   You have set rlist larger than the interaction cut-off, but you also have
-79:   verlet-buffer-tolerance > 0. Will set rlist using
-79:   verlet-buffer-tolerance.
+79: Generated 3 of the 3 non-bonded parameter combinations
 79: 
-79: Number of degrees of freedom in T-Coupling group System is 9.00
+79: Generated 3 of the 3 1-4 parameter combinations
 79: 
-79: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
+79: Excluding 2 bonded neighbours molecule type 'SOL'
 79: 
-79: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
+79: Setting gen_seed to -549980104
 79: 
-79: Note that mdrun will redetermine rlist based on the actual pair-list setup
+79: Velocities were taken from a Maxwell distribution at 298 K
 79: 
-79: This run will generate roughly 0 Mb of data
+79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 79: 
-79: Generated 3 of the 3 non-bonded parameter combinations
+79: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
 79: 
-79: Generated 3 of the 3 1-4 parameter combinations
+79: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
 79: 
-79: Excluding 2 bonded neighbours molecule type 'SOL'
-79: Generating 1-4 interactions: fudge = 0.5
+79: Note that mdrun will redetermine rlist based on the actual pair-list setup
+79: Number of degrees of freedom in T-Coupling group System is 9.00
 79: 
 79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_0_input.mdp]:
 79:   You are using a plain Coulomb cut-off, which might produce artifacts.
@@ -297303,34 +297177,55 @@
 79: 
 79: 
 79: 
-79: There were 2 NOTEs
+79: Setting gen_seed to -549609537
 79: 
-79: Setting gen_seed to 1664990903
+79: Velocities were taken from a Maxwell distribution at 268 K
 79: 
-79: Velocities were taken from a Maxwell distribution at 278 K
+79: This run will generate roughly 0 Mb of data
+79: 
+79: There were 2 NOTEs
+79: Number of degrees of freedom in T-Coupling group System is 9.00
 79: 
 79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 79: Number of degrees of freedom in T-Coupling group System is 9.00
 79: 
+79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+79: 
 79: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
 79: 
 79: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
 79: 
 79: Note that mdrun will redetermine rlist based on the actual pair-list setup
 79: 
+79: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_0_input.mdp]:
+79:   You are using a plain Coulomb cut-off, which might produce artifacts.
+79:   You might want to consider using PME electrostatics.
+79: 
+79: 
+79: 
+79: There were 3 NOTEs
+79: 
 79: This run will generate roughly 0 Mb of data
 79: 
-79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_0_input.mdp]:
+79: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
+79: 
+79: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
+79: 
+79: Note that mdrun will redetermine rlist based on the actual pair-list setup
+79: 
+79: This run will generate roughly 0 Mb of data
+79: 
+79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_0_input.mdp]:
 79:   You are using a plain Coulomb cut-off, which might produce artifacts.
 79:   You might want to consider using PME electrostatics.
 79: 
 79: 
 79: 
 79: There were 2 NOTEs
-79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 79: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 79: 
 79: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
@@ -297341,68 +297236,65 @@
 79: 
 79: This is simulation 0 out of 4 running as a composite GROMACS
 79: multi-simulation job. Setup for this simulation:
-79: This is simulation 3 out of 4 running as a composite GROMACS
-79: multi-simulation job. Setup for this simulation:
 79: 
 79: Using 1 MPI process
-79: This is simulation 2 out of 4 running as a composite GROMACS
+79: This is simulation 1 out of 4 running as a composite GROMACS
 79: multi-simulation job. Setup for this simulation:
 79: 
 79: Using 1 MPI process
-79: This is simulation 1 out of 4 running as a composite GROMACS
+79: Using 1 OpenMP thread 
+79: 
+79: This is simulation 3 out of 4 running as a composite GROMACS
 79: multi-simulation job. Setup for this simulation:
 79: 
 79: Using 1 MPI process
+79: Using 1 OpenMP thread 
+79: 
+79: This is simulation 2 out of 4 running as a composite GROMACS
+79: multi-simulation job. Setup for this simulation:
 79: 
 79: Using 1 MPI process
 79: Using 1 OpenMP thread 
 79: 
+79: Using 1 OpenMP thread 
+79: 
 79: 
 79: NOTE: The number of threads is not equal to the number of (logical) cpus
 79:       and the -pin option is set to auto: will not pin threads to cpus.
 79:       This can lead to significant performance degradation.
 79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-79: starting mdrun 'spc2'
-79: 0 steps,      0.0 ps.
-79: 
-79: Note: The number of steps is not consistent across multi simulations,
-79: but we are proceeding anyway!
-79: 
-79: NOTE: 15 % of the run time was spent in pair search,
-79:       you might want to increase nstlist (this has no effect on accuracy)
-79: Using 1 OpenMP thread 
-79: 
 79: 
 79: NOTE: The number of threads is not equal to the number of (logical) cpus
 79:       and the -pin option is set to auto: will not pin threads to cpus.
 79:       This can lead to significant performance degradation.
 79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-79: starting mdrun 'spc2'
-79: 3 steps,      0.0 ps.
-79: 
-79: Note: The number of steps is not consistent across multi simulations,
-79: but we are proceeding anyway!
-79: Using 1 OpenMP thread 
 79: 
+79: NOTE: The number of threads is not equal to the number of (logical) cpus
+79:       and the -pin option is set to auto: will not pin threads to cpus.
+79:       This can lead to significant performance degradation.
+79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 79: 
 79: NOTE: The number of threads is not equal to the number of (logical) cpus
 79:       and the -pin option is set to auto: will not pin threads to cpus.
 79:       This can lead to significant performance degradation.
 79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 79: starting mdrun 'spc2'
+79: 0 steps,      0.0 ps.
+79: starting mdrun 'spc2'
+79: 3 steps,      0.0 ps.
+79: starting mdrun 'spc2'
 79: 1 steps,      0.0 ps.
+79: starting mdrun 'spc2'
+79: 2 steps,      0.0 ps.
 79: 
 79: Note: The number of steps is not consistent across multi simulations,
 79: but we are proceeding anyway!
-79: Using 1 OpenMP thread 
 79: 
+79: Note: The number of steps is not consistent across multi simulations,
+79: but we are proceeding anyway!
 79: 
-79: NOTE: The number of threads is not equal to the number of (logical) cpus
-79:       and the -pin option is set to auto: will not pin threads to cpus.
-79:       This can lead to significant performance degradation.
-79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-79: starting mdrun 'spc2'
-79: 2 steps,      0.0 ps.
+79: Note: The number of steps is not consistent across multi simulations,
+79: but we are proceeding anyway!
 79: 
 79: Note: The number of steps is not consistent across multi simulations,
 79: but we are proceeding anyway!
@@ -297412,7 +297304,7 @@
 79: Writing final coordinates.
 79: 
 79: Writing final coordinates.
-79: [       OK ] InNvt/MultiSimTest.ExitsNormallyWithDifferentNumbersOfStepsPerSimulation/0 (7 ms)
+79: [       OK ] InNvt/MultiSimTest.ExitsNormallyWithDifferentNumbersOfStepsPerSimulation/0 (18 ms)
 79: [ RUN      ] InNvt/MultiSimTest.ExitsNormallyWithDifferentNumbersOfStepsPerSimulation/1
 79: 
 79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_1_input.mdp]:
@@ -297425,8 +297317,20 @@
 79:   For a correct single-point energy evaluation with nsteps = 0, use
 79:   continuation = yes to avoid constraining the input coordinates.
 79: 
+79: 
+79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_1_input.mdp]:
+79:   You have set rlist larger than the interaction cut-off, but you also have
+79:   verlet-buffer-tolerance > 0. Will set rlist using
+79:   verlet-buffer-tolerance.
+79: 
+79: Setting the LD random seed to -951065602
+79: Setting the LD random seed to -55319809
+79: Generating 1-4 interactions: fudge = 0.5
+79: 
+79: Generated 3 of the 3 non-bonded parameter combinations
+79: 
+79: Generated 3 of the 3 1-4 parameter combinations
 79: Generating 1-4 interactions: fudge = 0.5
-79: Setting the LD random seed to -35819587
 79: 
 79: Generated 3 of the 3 non-bonded parameter combinations
 79: 
@@ -297434,10 +297338,9 @@
 79: 
 79: Excluding 2 bonded neighbours molecule type 'SOL'
 79: 
-79: Setting gen_seed to -412633111
+79: Setting gen_seed to -539492482
 79: 
 79: Velocities were taken from a Maxwell distribution at 298 K
-79: Number of degrees of freedom in T-Coupling group System is 9.00
 79: 
 79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 79: 
@@ -297449,34 +297352,23 @@
 79: 
 79: This run will generate roughly 0 Mb of data
 79: 
-79: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_1_input.mdp]:
-79:   You are using a plain Coulomb cut-off, which might produce artifacts.
-79:   You might want to consider using PME electrostatics.
-79: 
-79: 
-79: 
-79: There were 3 NOTEs
-79: 
-79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_1_input.mdp]:
-79:   You have set rlist larger than the interaction cut-off, but you also have
-79:   verlet-buffer-tolerance > 0. Will set rlist using
-79:   verlet-buffer-tolerance.
+79: Excluding 2 bonded neighbours molecule type 'SOL'
 79: 
-79: Setting the LD random seed to 1333653131
+79: Setting gen_seed to -603980305
 79: 
-79: Generated 3 of the 3 non-bonded parameter combinations
-79: Generating 1-4 interactions: fudge = 0.5
+79: Velocities were taken from a Maxwell distribution at 278 K
 79: 
-79: Generated 3 of the 3 1-4 parameter combinations
+79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+79: Number of degrees of freedom in T-Coupling group System is 9.00
 79: 
-79: Excluding 2 bonded neighbours molecule type 'SOL'
+79: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_1_input.mdp]:
+79:   You are using a plain Coulomb cut-off, which might produce artifacts.
+79:   You might want to consider using PME electrostatics.
 79: 
-79: Setting gen_seed to -1081119715
 79: 
-79: Velocities were taken from a Maxwell distribution at 278 K
 79: 
+79: There were 3 NOTEs
 79: Number of degrees of freedom in T-Coupling group System is 9.00
-79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 79: 
 79: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
 79: 
@@ -297484,14 +297376,14 @@
 79: 
 79: Note that mdrun will redetermine rlist based on the actual pair-list setup
 79: 
+79: This run will generate roughly 0 Mb of data
+79: 
 79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_1_input.mdp]:
 79:   You are using a plain Coulomb cut-off, which might produce artifacts.
 79:   You might want to consider using PME electrostatics.
 79: 
 79: 
 79: 
-79: This run will generate roughly 0 Mb of data
-79: 
 79: There were 2 NOTEs
 79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTest_ExitsNormallyWithDifferentNumbersOfStepsPerSimulation_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -297501,114 +297393,113 @@
 79: 
 79: This is simulation 0 out of 2 running as a composite GROMACS
 79: multi-simulation job. Setup for this simulation:
+79: 
+79: Using 2 MPI processes
 79: This is simulation 1 out of 2 running as a composite GROMACS
 79: multi-simulation job. Setup for this simulation:
 79: 
 79: Using 2 MPI processes
+79: Using 1 OpenMP thread per MPI process
 79: 
-79: Using 2 MPI processes
 79: Using 1 OpenMP thread per MPI process
 79: 
 79: 
+79: 
 79: NOTE: The number of threads is not equal to the number of (logical) cpus
 79:       and the -pin option is set to auto: will not pin threads to cpus.
 79:       This can lead to significant performance degradation.
 79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-79: starting mdrun 'spc2'
-79: 0 steps,      0.0 ps.
-79: Using 1 OpenMP thread per MPI process
-79: 
-79: 
 79: NOTE: The number of threads is not equal to the number of (logical) cpus
 79:       and the -pin option is set to auto: will not pin threads to cpus.
 79:       This can lead to significant performance degradation.
 79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 79: starting mdrun 'spc2'
+79: 0 steps,      0.0 ps.
+79: starting mdrun 'spc2'
 79: 1 steps,      0.0 ps.
 79: 
 79: Note: The number of steps is not consistent across multi simulations,
 79: but we are proceeding anyway!
-79: 
 79: Note: The number of steps is not consistent across multi simulations,
 79: but we are proceeding anyway!
 79: 
-79: NOTE: 31 % of the run time was spent in domain decomposition,
-79:       10 % of the run time was spent in pair search,
+79: 
+79: NOTE: 41 % of the run time was spent in domain decomposition,
+79:       5 % of the run time was spent in pair search,
 79:       you might want to increase nstlist (this has no effect on accuracy)
 79: 
 79: Writing final coordinates.
 79: 
-79: NOTE: 35 % of the run time was spent communicating energies,
+79: NOTE: 18 % of the run time was spent in domain decomposition,
+79:       2 % of the run time was spent in pair search,
+79:       you might want to increase nstlist (this has no effect on accuracy)
+79: 
+79: NOTE: 34 % of the run time was spent communicating energies,
 79:       you might want to increase some nst* mdp options
-79: [       OK ] InNvt/MultiSimTest.ExitsNormallyWithDifferentNumbersOfStepsPerSimulation/1 (8 ms)
-79: [----------] 4 tests from InNvt/MultiSimTest (61 ms total)
+79: [       OK ] InNvt/MultiSimTest.ExitsNormallyWithDifferentNumbersOfStepsPerSimulation/1 (7 ms)
+79: [----------] 4 tests from InNvt/MultiSimTest (68 ms total)
 79: 
 79: [----------] 2 tests from InNvt/MultiSimTerminationTest
 79: [ RUN      ] InNvt/MultiSimTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts/0
 79: 
-79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
+79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
 79:   You have set rlist larger than the interaction cut-off, but you also have
 79:   verlet-buffer-tolerance > 0. Will set rlist using
 79:   verlet-buffer-tolerance.
 79: 
+79: Generating 1-4 interactions: fudge = 0.5
 79: 
-79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
+79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
 79:   You have set rlist larger than the interaction cut-off, but you also have
 79:   verlet-buffer-tolerance > 0. Will set rlist using
 79:   verlet-buffer-tolerance.
 79: 
 79: Generating 1-4 interactions: fudge = 0.5
-79: Generating 1-4 interactions: fudge = 0.5
-79: Number of degrees of freedom in T-Coupling group System is 9.00
-79: 
-79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
-79:   You are using a plain Coulomb cut-off, which might produce artifacts.
-79:   You might want to consider using PME electrostatics.
 79: 
-79: 
-79: Number of degrees of freedom in T-Coupling group System is 9.00
-79: 
-79: There were 2 NOTEs
-79: 
-79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
+79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
 79:   You have set rlist larger than the interaction cut-off, but you also have
 79:   verlet-buffer-tolerance > 0. Will set rlist using
 79:   verlet-buffer-tolerance.
 79: 
-79: 
-79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
-79:   You are using a plain Coulomb cut-off, which might produce artifacts.
-79:   You might want to consider using PME electrostatics.
-79: 
-79: 
-79: 
-79: There were 2 NOTEs
 79: Generating 1-4 interactions: fudge = 0.5
-79: Setting the LD random seed to -138481669
-79: Setting the LD random seed to -607283225
+79: Setting the LD random seed to -1107436680
 79: 
 79: Generated 3 of the 3 non-bonded parameter combinations
 79: 
 79: Generated 3 of the 3 1-4 parameter combinations
 79: 
+79: Excluding 2 bonded neighbours molecule type 'SOL'
+79: Setting the LD random seed to -268654737
+79: 
 79: Generated 3 of the 3 non-bonded parameter combinations
 79: 
 79: Generated 3 of the 3 1-4 parameter combinations
 79: 
 79: Excluding 2 bonded neighbours molecule type 'SOL'
+79: Setting the LD random seed to -680017939
+79: 
+79: Generated 3 of the 3 non-bonded parameter combinations
+79: 
+79: Generated 3 of the 3 1-4 parameter combinations
 79: 
 79: Excluding 2 bonded neighbours molecule type 'SOL'
 79: 
-79: Setting gen_seed to -2021794323
+79: Setting gen_seed to -626262671
 79: 
 79: Velocities were taken from a Maxwell distribution at 268 K
 79: 
-79: Setting gen_seed to -2027948946
+79: Setting gen_seed to -554280355
+79: 
+79: Velocities were taken from a Maxwell distribution at 288 K
 79: 
+79: Setting gen_seed to -27394060
 79: 
-79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 79: Velocities were taken from a Maxwell distribution at 298 K
 79: 
+79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+79: 
+79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+79: 
 79: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
 79: 
 79: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
@@ -297619,7 +297510,6 @@
 79: 
 79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 79: 
-79: Setting the LD random seed to -268591239
 79: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
 79: 
 79: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
@@ -297628,20 +297518,6 @@
 79: 
 79: This run will generate roughly 0 Mb of data
 79: 
-79: Generated 3 of the 3 non-bonded parameter combinations
-79: 
-79: Generated 3 of the 3 1-4 parameter combinations
-79: 
-79: Excluding 2 bonded neighbours molecule type 'SOL'
-79: 
-79: Setting gen_seed to 631160827
-79: 
-79: Velocities were taken from a Maxwell distribution at 288 K
-79: Setting the LD random seed to -1073758243
-79: 
-79: 
-79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
-79: 
 79: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
 79: 
 79: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
@@ -297649,49 +297525,41 @@
 79: Note that mdrun will redetermine rlist based on the actual pair-list setup
 79: 
 79: This run will generate roughly 0 Mb of data
-79: Generated 3 of the 3 non-bonded parameter combinations
-79: 
-79: Generated 3 of the 3 1-4 parameter combinations
-79: 
-79: Excluding 2 bonded neighbours molecule type 'SOL'
-79: 
-79: Setting gen_seed to -268632100
-79: 
-79: Velocities were taken from a Maxwell distribution at 278 K
-79: 
-79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+79: Number of degrees of freedom in T-Coupling group System is 9.00
 79: 
-79: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
+79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
+79:   You are using a plain Coulomb cut-off, which might produce artifacts.
+79:   You might want to consider using PME electrostatics.
 79: 
-79: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
 79: 
-79: Note that mdrun will redetermine rlist based on the actual pair-list setup
 79: 
-79: This run will generate roughly 0 Mb of data
-79: [       OK ] InNvt/MultiSimTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts/0 (9 ms)
-79: [ RUN      ] InNvt/MultiSimTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts/1
-79: Setting the LD random seed to -1087397513
+79: There were 2 NOTEs
+79: Number of degrees of freedom in T-Coupling group System is 9.00
 79: 
-79: Generated 3 of the 3 non-bonded parameter combinations
+79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
+79:   You are using a plain Coulomb cut-off, which might produce artifacts.
+79:   You might want to consider using PME electrostatics.
 79: 
-79: Generated 3 of the 3 1-4 parameter combinations
 79: 
-79: Excluding 2 bonded neighbours molecule type 'SOL'
 79: 
-79: Setting gen_seed to -42472745
+79: There were 2 NOTEs
+79: Number of degrees of freedom in T-Coupling group System is 9.00
 79: 
-79: Velocities were taken from a Maxwell distribution at 298 K
+79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
+79:   You are using a plain Coulomb cut-off, which might produce artifacts.
+79:   You might want to consider using PME electrostatics.
 79: 
-79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 79: 
-79: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
 79: 
-79: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
+79: There were 2 NOTEs
 79: 
-79: Note that mdrun will redetermine rlist based on the actual pair-list setup
-79: Setting the LD random seed to -139
+79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
+79:   You have set rlist larger than the interaction cut-off, but you also have
+79:   verlet-buffer-tolerance > 0. Will set rlist using
+79:   verlet-buffer-tolerance.
 79: 
-79: This run will generate roughly 0 Mb of data
+79: Generating 1-4 interactions: fudge = 0.5
+79: Setting the LD random seed to -1317343361
 79: 
 79: Generated 3 of the 3 non-bonded parameter combinations
 79: 
@@ -297699,9 +297567,10 @@
 79: 
 79: Excluding 2 bonded neighbours molecule type 'SOL'
 79: 
-79: Setting gen_seed to 265215485
+79: Setting gen_seed to -1092943937
 79: 
 79: Velocities were taken from a Maxwell distribution at 278 K
+79: Number of degrees of freedom in T-Coupling group System is 9.00
 79: 
 79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 79: 
@@ -297711,25 +297580,6 @@
 79: 
 79: Note that mdrun will redetermine rlist based on the actual pair-list setup
 79: 
-79: This run will generate roughly 0 Mb of data
-79: 
-79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
-79:   You have set rlist larger than the interaction cut-off, but you also have
-79:   verlet-buffer-tolerance > 0. Will set rlist using
-79:   verlet-buffer-tolerance.
-79: 
-79: Number of degrees of freedom in T-Coupling group System is 9.00
-79: 
-79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
-79:   You are using a plain Coulomb cut-off, which might produce artifacts.
-79:   You might want to consider using PME electrostatics.
-79: 
-79: 
-79: 
-79: There were 2 NOTEs
-79: Generating 1-4 interactions: fudge = 0.5
-79: Number of degrees of freedom in T-Coupling group System is 9.00
-79: 
 79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
 79:   You are using a plain Coulomb cut-off, which might produce artifacts.
 79:   You might want to consider using PME electrostatics.
@@ -297737,10 +297587,12 @@
 79: 
 79: 
 79: There were 2 NOTEs
-79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTeReading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+79: 
+79: This run will generate roughly 0 Mb of data
 79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-79: rminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 79: Changing nstlist from 10 to 1, rlist from 0.736 to 0.7
 79: 
 79: Changing nstlist from 10 to 1, rlist from 0.736 to 0.7
@@ -297749,13 +297601,15 @@
 79: 
 79: Changing nstlist from 10 to 1, rlist from 0.736 to 0.7
 79: 
-79: This is simulation 0 out of 4 running as a composite GROMACS
+79: This is simulation 1 out of 4 running as a composite GROMACS
 79: multi-simulation job. Setup for this simulation:
-79: This is simulation 3 out of 4 running as a composite GROMACS
+79: 
+79: Using 1 MPI process
+79: This is simulation 0 out of 4 running as a composite GROMACS
 79: multi-simulation job. Setup for this simulation:
 79: 
 79: Using 1 MPI process
-79: This is simulation 1 out of 4 running as a composite GROMACS
+79: This is simulation 3 out of 4 running as a composite GROMACS
 79: multi-simulation job. Setup for this simulation:
 79: 
 79: Using 1 MPI process
@@ -297763,8 +297617,12 @@
 79: multi-simulation job. Setup for this simulation:
 79: 
 79: Using 1 MPI process
+79: Using 1 OpenMP thread 
+79: 
+79: Using 1 OpenMP thread 
+79: 
+79: Using 1 OpenMP thread 
 79: 
-79: Using 1 MPI process
 79: Using 1 OpenMP thread 
 79: 
 79: 
@@ -297772,36 +297630,16 @@
 79:       and the -pin option is set to auto: will not pin threads to cpus.
 79:       This can lead to significant performance degradation.
 79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-79: starting mdrun 'spc2'
-79: 100 steps,      0.1 ps.
-79: 
-79: Step 13: Run time exceeded 0.000 hours, will terminate the run within 2 steps
-79: 
-79: NOTE: 13 % of the run time was spent in pair search,
-79:       you might want to increase nstlist (this has no effect on accuracy)
-79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-79: Overriding nsteps with value passed on the command line: 2 steps, 0.002 ps
-79: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
-79: 
-79: 
-79: This is simulation 0 out of 4 running as a composite GROMACS
-79: multi-simulation job. Setup for this simulation:
-79: 
-79: Using 1 MPI process
-79: Using 1 OpenMP thread 
 79: 
+79: NOTE: The number of threads is not equal to the number of (logical) cpus
+79:       and the -pin option is set to auto: will not pin threads to cpus.
+79:       This can lead to significant performance degradation.
+79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 79: 
 79: NOTE: The number of threads is not equal to the number of (logical) cpus
 79:       and the -pin option is set to auto: will not pin threads to cpus.
 79:       This can lead to significant performance degradation.
 79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-79: starting mdrun 'spc2'
-79: 16 steps,      0.0 ps (continuing from step 14,      0.0 ps).
-79: 
-79: Note: The initial step is not consistent across multi simulations,
-79: but we are proceeding anyway!
-79: Using 1 OpenMP thread 
-79: 
 79: 
 79: NOTE: The number of threads is not equal to the number of (logical) cpus
 79:       and the -pin option is set to auto: will not pin threads to cpus.
@@ -297809,69 +297647,62 @@
 79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 79: starting mdrun 'spc2'
 79: 100 steps,      0.1 ps.
+79: starting mdrun 'spc2'
+79: 100 steps,      0.1 ps.
+79: starting mdrun 'spc2'
+79: 100 steps,      0.1 ps.
+79: starting mdrun 'spc2'
+79: 100 steps,      0.1 ps.
 79: 
-79: Step 12: Run time exceeded 0.000 hours, will terminate the run within 2 steps
+79: Step 0: Run time exceeded 0.000 hours, will terminate the run within 2 steps
 79: 
-79: NOTE: 12 % of the run time was spent in pair search,
-79:       you might want to increase nstlist (this has no effect on accuracy)
+79: Step 0: Run time exceeded 0.000 hours, will terminate the run within 2 steps
+79: 
+79: Step 0: Run time exceeded 0.000 hours, will terminate the run within 2 steps
+79: 
+79: Step 1: Run time exceeded 0.000 hours, will terminate the run within 2 steps
+79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+79: Overriding nsteps with value passed on the command line: 2 steps, 0.002 psOverriding nsteps with value passed on the command line: 2 steps, 0.002 ps
+79: Overriding nsteps with value passed on the command line: 2 steps, 0.002 ps
 79: Overriding nsteps with value passed on the command line: 2 steps, 0.002 ps
-79: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
-79: 
 79: 
-79: This is simulation 3 out of 4 running as a composite GROMACS
-79: multi-simulation job. Setup for this simulation:
+79: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 79: 
-79: Using 1 MPI process
-79: Using 1 OpenMP thread 
+79: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 79: 
+79: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 79: 
-79: NOTE: The number of threads is not equal to the number of (logical) cpus
-79:       and the -pin option is set to auto: will not pin threads to cpus.
-79:       This can lead to significant performance degradation.
-79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-79: starting mdrun 'spc2'
-79: 15 steps,      0.0 ps (continuing from step 13,      0.0 ps).
+79: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 79: 
-79: Note: The initial step is not consistent across multi simulations,
-79: but we are proceeding anyway!
 79: 
-79: Writing final coordinates.
-79: Using 1 OpenMP thread 
+79: This is simulation 0 out of 4 running as a composite GROMACS
+79: multi-simulation job. Setup for this simulation:
 79: 
+79: Using 1 MPI process
 79: 
-79: NOTE: The number of threads is not equal to the number of (logical) cpus
-79:       and the -pin option is set to auto: will not pin threads to cpus.
-79:       This can lead to significant performance degradation.
-79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-79: starting mdrun 'spc2'
-79: 100 steps,      0.1 ps.
+79: This is simulation 3 out of 4 running as a composite GROMACS
+79: multi-simulation job. Setup for this simulation:
 79: 
-79: Step 10: Run time exceeded 0.000 hours, will terminate the run within 2 steps
+79: Using 1 MPI process
 79: 
-79: NOTE: 11 % of the run time was spent in pair search,
-79:       you might want to increase nstlist (this has no effect on accuracy)
-79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-79: Overriding nsteps with value passed on the command line: 2 steps, 0.002 ps
-79: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
+79: This is simulation 1 out of 4 running as a composite GROMACS
+79: multi-simulation job. Setup for this simulation:
 79: 
+79: Using 1 MPI process
 79: 
-79: This is simulation 1 out of 4 running as a composite GROMACS
+79: This is simulation 2 out of 4 running as a composite GROMACS
 79: multi-simulation job. Setup for this simulation:
 79: 
 79: Using 1 MPI process
 79: Using 1 OpenMP thread 
 79: 
+79: Using 1 OpenMP thread 
 79: 
-79: NOTE: The number of threads is not equal to the number of (logical) cpus
-79:       and the -pin option is set to auto: will not pin threads to cpus.
-79:       This can lead to significant performance degradation.
-79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-79: starting mdrun 'spc2'
-79: 13 steps,      0.0 ps (continuing from step 11,      0.0 ps).
+79: Using 1 OpenMP thread 
 79: 
-79: Note: The initial step is not consistent across multi simulations,
-79: but we are proceeding anyway!
 79: Using 1 OpenMP thread 
 79: 
 79: 
@@ -297879,31 +297710,38 @@
 79:       and the -pin option is set to auto: will not pin threads to cpus.
 79:       This can lead to significant performance degradation.
 79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-79: starting mdrun 'spc2'
-79: 100 steps,      0.1 ps.
-79: 
-79: Step 9: Run time exceeded 0.000 hours, will terminate the run within 2 steps
 79: 
-79: NOTE: 12 % of the run time was spent in pair search,
-79:       you might want to increase nstlist (this has no effect on accuracy)
-79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-79: Overriding nsteps with value passed on the command line: 2 steps, 0.002 ps
-79: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
-79: 
-79: 
-79: This is simulation 2 out of 4 running as a composite GROMACS
-79: multi-simulation job. Setup for this simulation:
-79: 
-79: Using 1 MPI process
-79: Using 1 OpenMP thread 
+79: NOTE: The number of threads is not equal to the number of (logical) cpus
+79:       and the -pin option is set to auto: will not pin threads to cpus.
+79:       This can lead to significant performance degradation.
+79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 79: 
+79: NOTE: The number of threads is not equal to the number of (logical) cpus
+79:       and the -pin option is set to auto: will not pin threads to cpus.
+79:       This can lead to significant performance degradation.
+79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 79: 
 79: NOTE: The number of threads is not equal to the number of (logical) cpus
 79:       and the -pin option is set to auto: will not pin threads to cpus.
 79:       This can lead to significant performance degradation.
 79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 79: starting mdrun 'spc2'
-79: 12 steps,      0.0 ps (continuing from step 10,      0.0 ps).
+79: 3 steps,      0.0 ps (continuing from step 1,      0.0 ps).
+79: starting mdrun 'spc2'
+79: 3 steps,      0.0 ps (continuing from step 1,      0.0 ps).
+79: starting mdrun 'spc2'
+79: 3 steps,      0.0 ps (continuing from step 1,      0.0 ps).
+79: starting mdrun 'spc2'
+79: 4 steps,      0.0 ps (continuing from step 2,      0.0 ps).
+79: 
+79: Note: The initial step is not consistent across multi simulations,
+79: but we are proceeding anyway!
+79: 
+79: Note: The initial step is not consistent across multi simulations,
+79: but we are proceeding anyway!
+79: 
+79: Note: The initial step is not consistent across multi simulations,
+79: but we are proceeding anyway!
 79: 
 79: Note: The initial step is not consistent across multi simulations,
 79: but we are proceeding anyway!
@@ -297914,19 +297752,57 @@
 79: 
 79: Writing final coordinates.
 79: 
-79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_1_input.mdp]:
+79: Writing final coordinates.
+79: 
+79: NOTE: 19 % of the run time was spent in pair search,
+79:       you might want to increase nstlist (this has no effect on accuracy)
+79: [       OK ] InNvt/MultiSimTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts/0 (11 ms)
+79: [ RUN      ] InNvt/MultiSimTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts/1
+79: 
+79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_1_input.mdp]:
 79:   You have set rlist larger than the interaction cut-off, but you also have
 79:   verlet-buffer-tolerance > 0. Will set rlist using
 79:   verlet-buffer-tolerance.
 79: 
-79: Generating 1-4 interactions: fudge = 0.5
-79: Number of degrees of freedom in T-Coupling group System is 9.00
 79: 
-79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_1_input.mdp]:
+79: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_1_input.mdp]:
 79:   You have set rlist larger than the interaction cut-off, but you also have
 79:   verlet-buffer-tolerance > 0. Will set rlist using
 79:   verlet-buffer-tolerance.
 79: 
+79: Setting the LD random seed to -45092
+79: Setting the LD random seed to -571496809
+79: Generating 1-4 interactions: fudge = 0.5
+79: 
+79: Generated 3 of the 3 non-bonded parameter combinations
+79: 
+79: Generated 3 of the 3 1-4 parameter combinations
+79: 
+79: Excluding 2 bonded neighbours molecule type 'SOL'
+79: 
+79: Generated 3 of the 3 non-bonded parameter combinations
+79: 
+79: Generated 3 of the 3 1-4 parameter combinations
+79: Generating 1-4 interactions: fudge = 0.5
+79: 
+79: Setting gen_seed to 2146434908
+79: 
+79: Velocities were taken from a Maxwell distribution at 298 K
+79: 
+79: Excluding 2 bonded neighbours molecule type 'SOL'
+79: Number of degrees of freedom in T-Coupling group System is 9.00
+79: 
+79: Setting gen_seed to -304350726
+79: 
+79: Velocities were taken from a Maxwell distribution at 278 K
+79: 
+79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+79: 
+79: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
+79: 
+79: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
+79: 
+79: Note that mdrun will redetermine rlist based on the actual pair-list setup
 79: 
 79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_1_input.mdp]:
 79:   You are using a plain Coulomb cut-off, which might produce artifacts.
@@ -297934,41 +297810,52 @@
 79: 
 79: 
 79: 
+79: This run will generate roughly 0 Mb of data
+79: 
 79: There were 2 NOTEs
-79: Generating 1-4 interactions: fudge = 0.5
 79: Number of degrees of freedom in T-Coupling group System is 9.00
 79: 
+79: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+79: 
+79: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
+79: 
+79: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
+79: 
+79: Note that mdrun will redetermine rlist based on the actual pair-list setup
+79: 
 79: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_1_input.mdp]:
 79:   You are using a plain Coulomb cut-off, which might produce artifacts.
 79:   You might want to consider using PME electrostatics.
 79: 
 79: 
 79: 
+79: This run will generate roughly 0 Mb of data
+79: 
 79: There were 2 NOTEs
-79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTeReading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-79: rminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 79: Changing nstlist from 10 to 1, rlist from 0.736 to 0.7
 79: 
 79: Changing nstlist from 10 to 1, rlist from 0.736 to 0.7
 79: 
-79: This is simulation 1 out of 2 running as a composite GROMACS
-79: multi-simulation job. Setup for this simulation:
 79: This is simulation 0 out of 2 running as a composite GROMACS
 79: multi-simulation job. Setup for this simulation:
 79: 
 79: Using 2 MPI processes
+79: Using 1 OpenMP thread per MPI process
 79: 
-79: Using 2 MPI processes
-79: Using 1 OpenMP thread per MPI processUsing 1 OpenMP thread per MPI process
-79: 
-79: 
+79: This is simulation 1 out of 2 running as a composite GROMACS
+79: multi-simulation job. Setup for this simulation:
 79: 
+79: Using 2 MPI processes
+79: Using 1 OpenMP thread per MPI process
 79: 
 79: 
 79: NOTE: The number of threads is not equal to the number of (logical) cpus
 79:       and the -pin option is set to auto: will not pin threads to cpus.
 79:       This can lead to significant performance degradation.
 79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
+79: 
 79: NOTE: The number of threads is not equal to the number of (logical) cpus
 79:       and the -pin option is set to auto: will not pin threads to cpus.
 79:       This can lead to significant performance degradation.
@@ -297978,96 +297865,90 @@
 79: starting mdrun 'spc2'
 79: 100 steps,      0.1 ps.
 79: 
-79: Step 2: Run time exceeded 0.000 hours, will terminate the run within 2 steps
+79: Step 4: Run time exceeded 0.000 hours, will terminate the run within 2 steps
 79: 
-79: Step 3: Run time exceeded 0.000 hours, will terminate the run within 2 steps
+79: Step 4: Run time exceeded 0.000 hours, will terminate the run within 2 steps
 79: 
 79: 
 79: Dynamic load balancing report:
 79:  DLB was off during the run due to low measured imbalance.
-79:  Average load imbalance: 16.5%.
-79:  The
+79:  Average load imbalance: 7.6%.
+79:  The balanceable part of the MD step is 6%, load imbalance is computed from this.
+79:  Part of the total run time spent waiting due to load imbalance: 0.5%.
+79: 
+79: 
 79: 
 79: Dynamic load balancing report:
 79:  DLB was off during the run due to low measured imbalance.
-79:  Average load imbalance: 42.0%.
+79:  Average load imbalance: 15.3%.
 79:  The balanceable part of the MD step is 6%, load imbalance is computed from this.
-79:  Part of the total run time spent waiting due to load imbalance: 2.4%.
+79:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 79: 
-79:  balanceable part of the MD step is 3%, load imbalance is computed from this.
-79:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 79: 
-79: NOTE: 28 % of the run time was spent in domain decomposition,
-79:       5 % of the run time was spent in pair search,
+79: NOTE: 26 % of the run time was spent in domain decomposition,
+79:       8 % of the run time was spent in pair search,
 79:       you might want to increase nstlist (this has no effect on accuracy)
 79: 
-79: NOTE: 22 % of the run time was spent communicating energies,
+79: NOTE: 23 % of the run time was spent communicating energies,
 79:       you might want to increase some nst* mdp options
 79: 
-79: 
-79: NOTE: 33 % of the run time was spent in domain decomposition,
-79:       6 % of the run time was spent in pair search,
+79: NOTE: 28 % of the run time was spent in domain decomposition,
+79:       8 % of the run time was spent in pair search,
 79:       you might want to increase nstlist (this has no effect on accuracy)
 79: 
-79: NOTE: 20 % of the run time was spent communicating energies,
+79: NOTE: 22 % of the run time was spent communicating energies,
 79:       you might want to increase some nst* mdp options
-79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTeReading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-79: rminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-79: Overriding nsteps with value passed on the command line: 2 steps, 0.002 psOverriding nsteps with value passed on the command line: 2 steps, 0.002 ps
-79: 
+79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+79: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+79: Overriding nsteps with value passed on the command line: 2 steps, 0.002 ps
+79: Overriding nsteps with value passed on the command line: 2 steps, 0.002 ps
 79: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 79: 
 79: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 79: 
 79: 
-79: 
-79: This is simulation 1 out of 2 running as a composite GROMACS
-79: multi-simulation job. Setup for this simulation:
-79: 
-79: Using 2 MPI processes
 79: This is simulation 0 out of 2 running as a composite GROMACS
 79: multi-simulation job. Setup for this simulation:
 79: 
 79: Using 2 MPI processes
-79: Using 1 OpenMP thread per MPI processUsing 1 OpenMP thread per MPI process
 79: 
+79: This is simulation 1 out of 2 running as a composite GROMACS
+79: multi-simulation job. Setup for this simulation:
 79: 
+79: Using 2 MPI processes
+79: Using 1 OpenMP thread per MPI process
 79: 
+79: Using 1 OpenMP thread per MPI process
 79: 
 79: 
 79: NOTE: The number of threads is not equal to the number of (logical) cpus
 79:       and the -pin option is set to auto: will not pin threads to cpus.
 79:       This can lead to significant performance degradation.
 79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
+79: 
 79: NOTE: The number of threads is not equal to the number of (logical) cpus
 79:       and the -pin option is set to auto: will not pin threads to cpus.
 79:       This can lead to significant performance degradation.
 79:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 79: starting mdrun 'spc2'
+79: 7 steps,      0.0 ps (continuing from step 5,      0.0 ps).
 79: starting mdrun 'spc2'
-79: 6 steps,      0.0 ps (continuing from step 4,      0.0 ps).
-79: 5 steps,      0.0 ps (continuing from step 3,      0.0 ps).
-79: 
-79: 
-79: Note: The initial step is not consistent across multi simulations,
-79: but we are proceeding anyway!
-79: Note: The initial step is not consistent across multi simulations,
-79: but we are proceeding anyway!
+79: 7 steps,      0.0 ps (continuing from step 5,      0.0 ps).
 79: 
 79: Writing final coordinates.
 79: 
 79: Writing final coordinates.
 79: 
-79: NOTE: 30 % of the run time was spent communicating energies,
+79: NOTE: 38 % of the run time was spent communicating energies,
 79:       you might want to increase some nst* mdp options
 79: 
-79: NOTE: 33 % of the run time was spent communicating energies,
+79: NOTE: 38 % of the run time was spent communicating energies,
 79:       you might want to increase some nst* mdp options
-79: [       OK ] InNvt/MultiSimTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts/1 (10 ms)
-79: [----------] 2 tests from InNvt/MultiSimTerminationTest (20 ms total)
+79: [       OK ] InNvt/MultiSimTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts/1 (12 ms)
+79: [----------] 2 tests from InNvt/MultiSimTerminationTest (23 ms total)
 79: 
 79: [----------] Global test environment tear-down
-79: [==========] 6 tests from 2 test suites ran. (103 ms total)
+79: [==========] 6 tests from 2 test suites ran. (115 ms total)
 79: [  PASSED  ] 6 tests.
 79/96 Test #79: MdrunMultiSimTests ...........................   Passed    0.30 sec
 test 80
@@ -298080,7 +297961,14 @@
 80: [----------] Global test environment set-up.
 80: [----------] 4 tests from WithDifferentControlVariables/ReplicaExchangeEnsembleTest
 80: [ RUN      ] WithDifferentControlVariables/ReplicaExchangeEnsembleTest.ExitsNormally/0
-80: Setting the LD random seed to -1077936713
+80: 
+80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0_input.mdp]:
+80:   You have set rlist larger than the interaction cut-off, but you also have
+80:   verlet-buffer-tolerance > 0. Will set rlist using
+80:   verlet-buffer-tolerance.
+80: 
+80: Setting the LD random seed to 721155915
+80: Generating 1-4 interactions: fudge = 0.5
 80: 
 80: Generated 3 of the 3 non-bonded parameter combinations
 80: 
@@ -298088,9 +297976,10 @@
 80: 
 80: Excluding 2 bonded neighbours molecule type 'SOL'
 80: 
-80: Setting gen_seed to -536871043
+80: Setting gen_seed to -1410490885
 80: 
 80: Velocities were taken from a Maxwell distribution at 298 K
+80: Number of degrees of freedom in T-Coupling group System is 9.00
 80: 
 80: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 80: 
@@ -298101,40 +297990,56 @@
 80: Note that mdrun will redetermine rlist based on the actual pair-list setup
 80: 
 80: This run will generate roughly 0 Mb of data
-80: Setting the LD random seed to -65538
 80: 
-80: Generated 3 of the 3 non-bonded parameter combinations
+80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0_input.mdp]:
+80:   You are using a plain Coulomb cut-off, which might produce artifacts.
+80:   You might want to consider using PME electrostatics.
 80: 
-80: Generated 3 of the 3 1-4 parameter combinations
 80: 
-80: Excluding 2 bonded neighbours molecule type 'SOL'
 80: 
-80: Setting gen_seed to -134466597
+80: There were 2 NOTEs
 80: 
-80: Velocities were taken from a Maxwell distribution at 268 K
+80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0_input.mdp]:
+80:   You have set rlist larger than the interaction cut-off, but you also have
+80:   verlet-buffer-tolerance > 0. Will set rlist using
+80:   verlet-buffer-tolerance.
 80: 
-80: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+80: Setting the LD random seed to 1073075631
 80: 
-80: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
+80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0_input.mdp]:
+80:   You have set rlist larger than the interaction cut-off, but you also have
+80:   verlet-buffer-tolerance > 0. Will set rlist using
+80:   verlet-buffer-tolerance.
 80: 
-80: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
+80: Generating 1-4 interactions: fudge = 0.5
 80: 
-80: Note that mdrun will redetermine rlist based on the actual pair-list setup
+80: Generated 3 of the 3 non-bonded parameter combinations
 80: 
-80: This run will generate roughly 0 Mb of data
-80: Setting the LD random seed to -1637359665
+80: Generated 3 of the 3 1-4 parameter combinations
+80: Setting the LD random seed to -38338871
+80: 
+80: Excluding 2 bonded neighbours molecule type 'SOL'
+80: Generating 1-4 interactions: fudge = 0.5
+80: 
+80: Setting gen_seed to -1308688769
+80: 
+80: Velocities were taken from a Maxwell distribution at 268 K
 80: 
 80: Generated 3 of the 3 non-bonded parameter combinations
 80: 
 80: Generated 3 of the 3 1-4 parameter combinations
+80: Number of degrees of freedom in T-Coupling group System is 9.00
 80: 
-80: Excluding 2 bonded neighbours molecule type 'SOL'
+80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0_input.mdp]:
+80:   You have set rlist larger than the interaction cut-off, but you also have
+80:   verlet-buffer-tolerance > 0. Will set rlist using
+80:   verlet-buffer-tolerance.
 80: 
-80: Setting gen_seed to -25219433
 80: 
-80: Velocities were taken from a Maxwell distribution at 278 K
+80: Excluding 2 bonded neighbours molecule type 'SOL'
 80: 
 80: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+80: Setting the LD random seed to 2139062271
 80: 
 80: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
 80: 
@@ -298142,22 +298047,11 @@
 80: 
 80: Note that mdrun will redetermine rlist based on the actual pair-list setup
 80: 
-80: This run will generate roughly 0 Mb of data
-80: Setting the LD random seed to -1436758291
-80: 
-80: Generated 3 of the 3 non-bonded parameter combinations
-80: 
-80: Generated 3 of the 3 1-4 parameter combinations
+80: Setting gen_seed to -1159758865
 80: 
-80: Excluding 2 bonded neighbours molecule type 'SOL'
-80: 
-80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0_input.mdp]:
-80:   You have set rlist larger than the interaction cut-off, but you also have
-80:   verlet-buffer-tolerance > 0. Will set rlist using
-80:   verlet-buffer-tolerance.
+80: Velocities were taken from a Maxwell distribution at 288 K
 80: 
-80: Generating 1-4 interactions: fudge = 0.5
-80: Number of degrees of freedom in T-Coupling group System is 9.00
+80: This run will generate roughly 0 Mb of data
 80: 
 80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0_input.mdp]:
 80:   You are using a plain Coulomb cut-off, which might produce artifacts.
@@ -298166,32 +298060,26 @@
 80: 
 80: 
 80: There were 2 NOTEs
+80: Number of degrees of freedom in T-Coupling group System is 9.00
+80: Generating 1-4 interactions: fudge = 0.5
 80: 
-80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0_input.mdp]:
-80:   You have set rlist larger than the interaction cut-off, but you also have
-80:   verlet-buffer-tolerance > 0. Will set rlist using
-80:   verlet-buffer-tolerance.
+80: Generated 3 of the 3 non-bonded parameter combinations
 80: 
-80: Generating 1-4 interactions: fudge = 0.5
-80: Number of degrees of freedom in T-Coupling group System is 9.00
+80: Generated 3 of the 3 1-4 parameter combinations
 80: 
-80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0_input.mdp]:
-80:   You are using a plain Coulomb cut-off, which might produce artifacts.
-80:   You might want to consider using PME electrostatics.
+80: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 80: 
+80: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
 80: 
+80: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
 80: 
-80: There were 2 NOTEs
+80: Note that mdrun will redetermine rlist based on the actual pair-list setup
 80: 
-80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0_input.mdp]:
-80:   You have set rlist larger than the interaction cut-off, but you also have
-80:   verlet-buffer-tolerance > 0. Will set rlist using
-80:   verlet-buffer-tolerance.
+80: Excluding 2 bonded neighbours molecule type 'SOL'
 80: 
-80: Generating 1-4 interactions: fudge = 0.5
-80: Number of degrees of freedom in T-Coupling group System is 9.00
+80: This run will generate roughly 0 Mb of data
 80: 
-80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0_input.mdp]:
+80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0_input.mdp]:
 80:   You are using a plain Coulomb cut-off, which might produce artifacts.
 80:   You might want to consider using PME electrostatics.
 80: 
@@ -298199,16 +298087,9 @@
 80: 
 80: There were 2 NOTEs
 80: 
-80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0_input.mdp]:
-80:   You have set rlist larger than the interaction cut-off, but you also have
-80:   verlet-buffer-tolerance > 0. Will set rlist using
-80:   verlet-buffer-tolerance.
+80: Setting gen_seed to -1677722245
 80: 
-80: Generating 1-4 interactions: fudge = 0.5
-80: 
-80: Setting gen_seed to -557832
-80: 
-80: Velocities were taken from a Maxwell distribution at 288 K
+80: Velocities were taken from a Maxwell distribution at 278 K
 80: Number of degrees of freedom in T-Coupling group System is 9.00
 80: 
 80: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
@@ -298219,7 +298100,7 @@
 80: 
 80: Note that mdrun will redetermine rlist based on the actual pair-list setup
 80: 
-80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0_input.mdp]:
+80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0_input.mdp]:
 80:   You are using a plain Coulomb cut-off, which might produce artifacts.
 80:   You might want to consider using PME electrostatics.
 80: 
@@ -298228,10 +298109,10 @@
 80: This run will generate roughly 0 Mb of data
 80: 
 80: There were 2 NOTEs
-80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentConReading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-80: trolVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 80: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 80: 
 80: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
@@ -298240,13 +298121,11 @@
 80: 
 80: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 80: 
-80: This is simulation 3 out of 4 running as a composite GROMACS
-80: multi-simulation job. Setup for this simulation:
-80: This is simulation 2 out of 4 running as a composite GROMACS
+80: This is simulation 0 out of 4 running as a composite GROMACS
 80: multi-simulation job. Setup for this simulation:
 80: 
 80: Using 1 MPI process
-80: This is simulation 0 out of 4 running as a composite GROMACS
+80: This is simulation 3 out of 4 running as a composite GROMACS
 80: multi-simulation job. Setup for this simulation:
 80: 
 80: Using 1 MPI process
@@ -298254,14 +298133,16 @@
 80: multi-simulation job. Setup for this simulation:
 80: 
 80: Using 1 MPI process
+80: Using 1 OpenMP thread 
+80: This is simulation 2 out of 4 running as a composite GROMACS
+80: multi-simulation job. Setup for this simulation:
 80: 
 80: Using 1 MPI process
 80: Using 1 OpenMP thread 
 80: 
-80: Using 1 OpenMP thread Using 1 OpenMP thread 
-80: 
 80: Using 1 OpenMP thread 
 80: 
+80: Using 1 OpenMP thread 
 80: 
 80: 
 80: 
@@ -298275,22 +298156,22 @@
 80:       This can lead to significant performance degradation.
 80:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 80: 
-80: 
 80: NOTE: The number of threads is not equal to the number of (logical) cpus
 80:       and the -pin option is set to auto: will not pin threads to cpus.
 80:       This can lead to significant performance degradation.
 80:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
+80: 
 80: NOTE: The number of threads is not equal to the number of (logical) cpus
 80:       and the -pin option is set to auto: will not pin threads to cpus.
 80:       This can lead to significant performance degradation.
 80:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 80: starting mdrun 'spc2'
-80: starting mdrun 'spc2'
 80: 2 steps,      0.0 ps.
 80: starting mdrun 'spc2'
 80: 2 steps,      0.0 ps.
 80: starting mdrun 'spc2'
 80: 2 steps,      0.0 ps.
+80: starting mdrun 'spc2'
 80: 2 steps,      0.0 ps.
 80: 
 80: Writing final coordinates.
@@ -298300,36 +298181,22 @@
 80: Writing final coordinates.
 80: 
 80: Writing final coordinates.
-80: [       OK ] WithDifferentControlVariables/ReplicaExchangeEnsembleTest.ExitsNormally/0 (11 ms)
+80: [       OK ] WithDifferentControlVariables/ReplicaExchangeEnsembleTest.ExitsNormally/0 (14 ms)
 80: [ RUN      ] WithDifferentControlVariables/ReplicaExchangeEnsembleTest.ExitsNormally/1
 80: 
-80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentCo
-80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
-80:   You have set rlist larger than the interaction cut-off, but you also have
-80:   verlet-buffer-tolerance > 0. Will set rlist using
-80:   verlet-buffer-tolerance.
-80: 
-80: 
-80: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
-80:   The Berendsen barostat does not generate any strictly correct ensemble,
-80:   and should not be used for new production simulations (in our opinion).
-80:   We recommend using the C-rescale barostat instead.
-80: 
-80: 
-80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
+80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
 80:   You have set rlist larger than the interaction cut-off, but you also have
 80:   verlet-buffer-tolerance > 0. Will set rlist using
 80:   verlet-buffer-tolerance.
 80: 
 80: 
-80: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
+80: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
 80:   The Berendsen barostat does not generate any strictly correct ensemble,
 80:   and should not be used for new production simulations (in our opinion).
 80:   We recommend using the C-rescale barostat instead.
 80: 
+80: Setting the LD random seed to -134353163
 80: Generating 1-4 interactions: fudge = 0.5
-80: Setting the LD random seed to -155530273
-80: Setting the LD random seed to -1094717475
 80: 
 80: Generated 3 of the 3 non-bonded parameter combinations
 80: 
@@ -298337,9 +298204,10 @@
 80: 
 80: Excluding 2 bonded neighbours molecule type 'SOL'
 80: 
-80: Setting gen_seed to -1164050433
+80: Setting gen_seed to -1476428937
 80: 
-80: Velocities were taken from a Maxwell distribution at 278 K
+80: Velocities were taken from a Maxwell distribution at 298 K
+80: Number of degrees of freedom in T-Coupling group System is 9.00
 80: 
 80: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 80: 
@@ -298349,11 +298217,7 @@
 80: 
 80: Note that mdrun will redetermine rlist based on the actual pair-list setup
 80: 
-80: This run will generate roughly 0 Mb of data
-80: Generating 1-4 interactions: fudge = 0.5
-80: Number of degrees of freedom in T-Coupling group System is 9.00
-80: 
-80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
+80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
 80:   You are using a plain Coulomb cut-off, which might produce artifacts.
 80:   You might want to consider using PME electrostatics.
 80: 
@@ -298362,100 +298226,64 @@
 80: There were 2 NOTEs
 80: 
 80: There was 1 WARNING
-80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-80: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 80: 
-80: This is simulation 2 out of 4 running as a composite GROMACS
-80: multi-simulation job. Setup for this simulation:
-80: 
-80: Using 1 MPI process
-80: Using 1 OpenMP thread 
+80: This run will generate roughly 0 Mb of data
 80: 
-80: ntrolVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
+80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
 80:   You have set rlist larger than the interaction cut-off, but you also have
 80:   verlet-buffer-tolerance > 0. Will set rlist using
 80:   verlet-buffer-tolerance.
 80: 
 80: 
-80: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
+80: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
 80:   The Berendsen barostat does not generate any strictly correct ensemble,
 80:   and should not be used for new production simulations (in our opinion).
 80:   We recommend using the C-rescale barostat instead.
 80: 
-80: Generating 1-4 interactions: fudge = 0.5
-80: Number of degrees of freedom in T-Coupling group System is 9.00
-80: 
-80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
-80:   You are using a plain Coulomb cut-off, which might produce artifacts.
-80:   You might want to consider using PME electrostatics.
-80: 
-80: 
-80: 
-80: There were 2 NOTEs
-80: 
-80: There was 1 WARNING
-80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-80: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
-80: 
-80: This is simulation 0 out of 4 running as a composite GROMACS
-80: multi-simulation job. Setup for this simulation:
 80: 
-80: Using 1 MPI process
-80: Using 1 OpenMP thread 
-80: 
-80: Number of degrees of freedom in T-Coupling group System is 9.00
-80: 
-80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
-80:   You are using a plain Coulomb cut-off, which might produce artifacts.
-80:   You might want to consider using PME electrostatics.
-80: 
-80: 
-80: 
-80: There were 2 NOTEs
-80: 
-80: There was 1 WARNING
-80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-80: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
+80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
+80:   You have set rlist larger than the interaction cut-off, but you also have
+80:   verlet-buffer-tolerance > 0. Will set rlist using
+80:   verlet-buffer-tolerance.
 80: 
-80: This is simulation 3 out of 4 running as a composite GROMACS
-80: multi-simulation job. Setup for this simulation:
 80: 
-80: Using 1 MPI process
-80: Using 1 OpenMP thread 
+80: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
+80:   The Berendsen barostat does not generate any strictly correct ensemble,
+80:   and should not be used for new production simulations (in our opinion).
+80:   We recommend using the C-rescale barostat instead.
 80: 
+80: Setting the LD random seed to -1343361301
+80: Setting the LD random seed to -1099973846
 80: 
-80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
+80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
 80:   You have set rlist larger than the interaction cut-off, but you also have
 80:   verlet-buffer-tolerance > 0. Will set rlist using
 80:   verlet-buffer-tolerance.
 80: 
 80: 
-80: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
+80: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
 80:   The Berendsen barostat does not generate any strictly correct ensemble,
 80:   and should not be used for new production simulations (in our opinion).
 80:   We recommend using the C-rescale barostat instead.
 80: 
 80: Generating 1-4 interactions: fudge = 0.5
-80: Number of degrees of freedom in T-Coupling group System is 9.00
-80: 
-80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
-80:   You are using a plain Coulomb cut-off, which might produce artifacts.
-80:   You might want to consider using PME electrostatics.
-80: 
+80: Generating 1-4 interactions: fudge = 0.5
 80: 
+80: Generated 3 of the 3 non-bonded parameter combinations
 80: 
-80: There were 2 NOTEs
+80: Generated 3 of the 3 1-4 parameter combinations
 80: 
-80: There was 1 WARNING
-80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-80: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
+80: Generated 3 of the 3 non-bonded parameter combinations
 80: 
-80: This is simulation 1 out of 4 running as a composite GROMACS
-80: multi-simulation job. Setup for this simulation:
+80: Generated 3 of the 3 1-4 parameter combinations
+80: Setting the LD random seed to 2142960383
 80: 
-80: Using 1 MPI process
-80: Using 1 OpenMP thread 
+80: Excluding 2 bonded neighbours molecule type 'SOL'
 80: 
+80: Excluding 2 bonded neighbours molecule type 'SOL'
+80: Generating 1-4 interactions: fudge = 0.5
+80: Number of degrees of freedom in T-Coupling group System is 9.00
+80: Number of degrees of freedom in T-Coupling group System is 9.00
 80: 
 80: Generated 3 of the 3 non-bonded parameter combinations
 80: 
@@ -298463,12 +298291,24 @@
 80: 
 80: Excluding 2 bonded neighbours molecule type 'SOL'
 80: 
-80: Setting gen_seed to -528131
+80: Setting gen_seed to -1754286593
 80: 
 80: Velocities were taken from a Maxwell distribution at 268 K
 80: 
 80: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 80: 
+80: Setting gen_seed to -673841173
+80: 
+80: Velocities were taken from a Maxwell distribution at 288 K
+80: 
+80: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+80: 
+80: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
+80: 
+80: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
+80: 
+80: Note that mdrun will redetermine rlist based on the actual pair-list setup
+80: 
 80: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
 80: 
 80: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
@@ -298476,17 +298316,33 @@
 80: Note that mdrun will redetermine rlist based on the actual pair-list setup
 80: 
 80: This run will generate roughly 0 Mb of data
-80: Setting the LD random seed to -100663810
 80: 
-80: Generated 3 of the 3 non-bonded parameter combinations
+80: This run will generate roughly 0 Mb of data
 80: 
-80: Generated 3 of the 3 1-4 parameter combinations
+80: Setting gen_seed to 1803448255
 80: 
-80: Excluding 2 bonded neighbours molecule type 'SOL'
+80: Velocities were taken from a Maxwell distribution at 278 K
 80: 
-80: Setting gen_seed to -142696453
+80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
+80:   You are using a plain Coulomb cut-off, which might produce artifacts.
+80:   You might want to consider using PME electrostatics.
 80: 
-80: Velocities were taken from a Maxwell distribution at 298 K
+80: 
+80: 
+80: There were 2 NOTEs
+80: 
+80: There was 1 WARNING
+80: 
+80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
+80:   You are using a plain Coulomb cut-off, which might produce artifacts.
+80:   You might want to consider using PME electrostatics.
+80: 
+80: 
+80: 
+80: There were 2 NOTEs
+80: 
+80: There was 1 WARNING
+80: Number of degrees of freedom in T-Coupling group System is 9.00
 80: 
 80: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 80: 
@@ -298496,28 +298352,52 @@
 80: 
 80: Note that mdrun will redetermine rlist based on the actual pair-list setup
 80: 
+80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1_input.mdp]:
+80:   You are using a plain Coulomb cut-off, which might produce artifacts.
+80:   You might want to consider using PME electrostatics.
+80: 
+80: 
+80: 
+80: There were 2 NOTEs
+80: 
+80: There was 1 WARNING
+80: 
 80: This run will generate roughly 0 Mb of data
-80: Setting the LD random seed to -196133647
+80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+80: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 80: 
-80: Generated 3 of the 3 non-bonded parameter combinations
+80: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 80: 
-80: Generated 3 of the 3 1-4 parameter combinations
+80: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 80: 
-80: Excluding 2 bonded neighbours molecule type 'SOL'
+80: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 80: 
-80: Setting gen_seed to -202121233
+80: This is simulation 0 out of 4 running as a composite GROMACS
+80: multi-simulation job. Setup for this simulation:
 80: 
-80: Velocities were taken from a Maxwell distribution at 288 K
+80: Using 1 MPI process
+80: Using 1 OpenMP thread 
 80: 
-80: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+80: This is simulation 1 out of 4 running as a composite GROMACS
+80: multi-simulation job. Setup for this simulation:
 80: 
-80: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
+80: Using 1 MPI process
+80: Using 1 OpenMP thread 
 80: 
-80: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
+80: This is simulation 2 out of 4 running as a composite GROMACS
+80: multi-simulation job. Setup for this simulation:
 80: 
-80: Note that mdrun will redetermine rlist based on the actual pair-list setup
+80: Using 1 MPI process
+80: Using 1 OpenMP thread 
 80: 
-80: This run will generate roughly 0 Mb of data
+80: This is simulation 3 out of 4 running as a composite GROMACS
+80: multi-simulation job. Setup for this simulation:
+80: 
+80: Using 1 MPI process
+80: Using 1 OpenMP thread 
 80: 
 80: 
 80: NOTE: The number of threads is not equal to the number of (logical) cpus
@@ -298534,17 +298414,18 @@
 80:       and the -pin option is set to auto: will not pin threads to cpus.
 80:       This can lead to significant performance degradation.
 80:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
+80: 
 80: NOTE: The number of threads is not equal to the number of (logical) cpus
 80:       and the -pin option is set to auto: will not pin threads to cpus.
 80:       This can lead to significant performance degradation.
 80:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 80: starting mdrun 'spc2'
-80: starting mdrun 'spc2'
 80: 2 steps,      0.0 ps.
 80: starting mdrun 'spc2'
 80: 2 steps,      0.0 ps.
 80: starting mdrun 'spc2'
 80: 2 steps,      0.0 ps.
+80: starting mdrun 'spc2'
 80: 2 steps,      0.0 ps.
 80: 
 80: Writing final coordinates.
@@ -298554,23 +298435,16 @@
 80: Writing final coordinates.
 80: 
 80: Writing final coordinates.
+80: [       OK ] WithDifferentControlVariables/ReplicaExchangeEnsembleTest.ExitsNormally/1 (9 ms)
+80: [ RUN      ] WithDifferentControlVariables/ReplicaExchangeEnsembleTest.ExitsNormally/2
 80: 
 80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_2_input.mdp]:
 80:   You have set rlist larger than the interaction cut-off, but you also have
 80:   verlet-buffer-tolerance > 0. Will set rlist using
 80:   verlet-buffer-tolerance.
 80: 
+80: Setting the LD random seed to -269618273
 80: Generating 1-4 interactions: fudge = 0.5
-80: Number of degrees of freedom in T-Coupling group System is 9.00
-80: 
-80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_2_input.mdp]:
-80:   You are using a plain Coulomb cut-off, which might produce artifacts.
-80:   You might want to consider using PME electrostatics.
-80: 
-80: 
-80: [       OK ] WithDifferentControlVariables/ReplicaExchangeEnsembleTest.ExitsNormally/1 (7 ms)
-80: [ RUN      ] WithDifferentControlVariables/ReplicaExchangeEnsembleTest.ExitsNormally/2
-80: Setting the LD random seed to 1306525415
 80: 
 80: Generated 3 of the 3 non-bonded parameter combinations
 80: 
@@ -298578,9 +298452,10 @@
 80: 
 80: Excluding 2 bonded neighbours molecule type 'SOL'
 80: 
-80: Setting gen_seed to -43188361
+80: Setting gen_seed to -1632014347
 80: 
 80: Velocities were taken from a Maxwell distribution at 298 K
+80: Number of degrees of freedom in T-Coupling group System is 9.00
 80: 
 80: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 80: 
@@ -298590,25 +298465,31 @@
 80: 
 80: Note that mdrun will redetermine rlist based on the actual pair-list setup
 80: 
-80: This run will generate roughly 0 Mb of data
+80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_2_input.mdp]:
+80:   You are using a plain Coulomb cut-off, which might produce artifacts.
+80:   You might want to consider using PME electrostatics.
+80: 
+80: 
+80: 
 80: 
 80: There were 2 NOTEs
+80: This run will generate roughly 0 Mb of data
 80: 
 80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_2_input.mdp]:
 80:   You have set rlist larger than the interaction cut-off, but you also have
 80:   verlet-buffer-tolerance > 0. Will set rlist using
 80:   verlet-buffer-tolerance.
 80: 
-80: Setting the LD random seed to 1607457651
+80: Setting the LD random seed to -268485045
+80: Generating 1-4 interactions: fudge = 0.5
 80: 
 80: Generated 3 of the 3 non-bonded parameter combinations
-80: Generating 1-4 interactions: fudge = 0.5
 80: 
 80: Generated 3 of the 3 1-4 parameter combinations
 80: 
 80: Excluding 2 bonded neighbours molecule type 'SOL'
 80: 
-80: Setting gen_seed to -1411387937
+80: Setting gen_seed to -42075410
 80: 
 80: Velocities were taken from a Maxwell distribution at 278 K
 80: Number of degrees of freedom in T-Coupling group System is 9.00
@@ -298627,20 +298508,20 @@
 80: 
 80: 
 80: 
-80: This run will generate roughly 0 Mb of data
-80: 
 80: There were 2 NOTEs
-80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentConReading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-80: trolVariables_ReplicaExchangeEnsembleTest_ExitsNormally_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+80: 
+80: This run will generate roughly 0 Mb of data
+80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 80: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 80: 
 80: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 80: 
-80: This is simulation 0 out of 2 running as a composite GROMACS
+80: This is simulation 1 out of 2 running as a composite GROMACS
 80: multi-simulation job. Setup for this simulation:
 80: 
 80: Using 2 MPI processes
-80: This is simulation 1 out of 2 running as a composite GROMACS
+80: This is simulation 0 out of 2 running as a composite GROMACS
 80: multi-simulation job. Setup for this simulation:
 80: 
 80: Using 2 MPI processes
@@ -298649,17 +298530,21 @@
 80: Using 1 OpenMP thread per MPI process
 80: 
 80: 
-80: 
 80: NOTE: The number of threads is not equal to the number of (logical) cpus
 80:       and the -pin option is set to auto: will not pin threads to cpus.
 80:       This can lead to significant performance degradation.
 80:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
+80: 
 80: NOTE: The number of threads is not equal to the number of (logical) cpus
 80:       and the -pin option is set to auto: will not pin threads to cpus.
 80:       This can lead to significant performance degradation.
 80:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 80: starting mdrun 'spc2'
 80: 2 steps,      0.0 ps.
+80: starting mdrun 'spc2'
+80: 2 steps,      0.0 ps.
+80: 
+80: Writing final coordinates.
 80: 
 80: Writing final coordinates.
 80: 
@@ -298671,48 +298556,31 @@
 80:  Part of the total run time spent waiting due to load imbalance: 0.0%.
 80: 
 80: 
-80: NOTE: 15 % of the run time was spent in domain decomposition,
-80:       4 % of the run time was spent in pair search,
+80: NOTE: 12 % of the run time was spent in domain decomposition,
+80:       3 % of the run time was spent in pair search,
 80:       you might want to increase nstlist (this has no effect on accuracy)
 80: 
-80: NOTE: 31 % of the run time was spent communicating energies,
+80: NOTE: 33 % of the run time was spent communicating energies,
 80:       you might want to increase some nst* mdp options
-80: starting mdrun 'spc2'
-80: 2 steps,      0.0 ps.
-80: 
-80: Writing final coordinates.
 80: 
 80: 
 80: Dynamic load balancing report:
 80:  DLB was off during the run due to low measured imbalance.
-80:  Average load imbalance: 1.5%.
-80:  The balanceable part of the MD step is 11%, load imbalance is computed from this.
-80:  Part of the total run time spent waiting due to load imbalance: 0.2%.
+80:  Average load imbalance: 15.6%.
+80:  The balanceable part of the MD step is 10%, load imbalance is computed from this.
+80:  Part of the total run time spent waiting due to load imbalance: 1.5%.
 80: 
 80: 
-80: NOTE: 15 % of the run time was spent in domain decomposition,
-80:       4 % of the run time was spent in pair search,
+80: NOTE: 14 % of the run time was spent in domain decomposition,
+80:       3 % of the run time was spent in pair search,
 80:       you might want to increase nstlist (this has no effect on accuracy)
 80: 
-80: NOTE: 29 % of the run time was spent communicating energies,
+80: NOTE: 43 % of the run time was spent communicating energies,
 80:       you might want to increase some nst* mdp options
-80: [       OK ] WithDifferentControlVariables/ReplicaExchangeEnsembleTest.ExitsNormally/2 (15 ms)
+80: [       OK ] WithDifferentControlVariables/ReplicaExchangeEnsembleTest.ExitsNormally/2 (9 ms)
 80: [ RUN      ] WithDifferentControlVariables/ReplicaExchangeEnsembleTest.ExitsNormally/3
 80: 
-80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentCo
-80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_3_input.mdp]:
-80:   You have set rlist larger than the interaction cut-off, but you also have
-80:   verlet-buffer-tolerance > 0. Will set rlist using
-80:   verlet-buffer-tolerance.
-80: 
-80: 
-80: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_3_input.mdp]:
-80:   The Berendsen barostat does not generate any strictly correct ensemble,
-80:   and should not be used for new production simulations (in our opinion).
-80:   We recommend using the C-rescale barostat instead.
-80: 
-80: ntrolVariables_ReplicaExchangeEnsembleTest_ExitsNormally_3_input.mdp]:
-80: Setting the LD random seed to 1607987149
+80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_3_input.mdp]:
 80:   You have set rlist larger than the interaction cut-off, but you also have
 80:   verlet-buffer-tolerance > 0. Will set rlist using
 80:   verlet-buffer-tolerance.
@@ -298723,34 +298591,20 @@
 80:   and should not be used for new production simulations (in our opinion).
 80:   We recommend using the C-rescale barostat instead.
 80: 
-80: Setting the LD random seed to -339738625
+80: Setting the LD random seed to -1645216274
 80: Generating 1-4 interactions: fudge = 0.5
 80: 
 80: Generated 3 of the 3 non-bonded parameter combinations
 80: 
 80: Generated 3 of the 3 1-4 parameter combinations
 80: 
-80: Generated 3 of the 3 non-bonded parameter combinations
-80: 
-80: Excluding 2 bonded neighbours molecule type 'SOL'
-80: 
-80: Generated 3 of the 3 1-4 parameter combinations
-80: Generating 1-4 interactions: fudge = 0.5
-80: 
 80: Excluding 2 bonded neighbours molecule type 'SOL'
 80: 
-80: Setting gen_seed to -274776658
+80: Setting gen_seed to 1992014704
 80: 
 80: Velocities were taken from a Maxwell distribution at 298 K
 80: Number of degrees of freedom in T-Coupling group System is 9.00
 80: 
-80: Setting gen_seed to 1739398507
-80: 
-80: Velocities were taken from a Maxwell distribution at 278 K
-80: 
-80: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
-80: Number of degrees of freedom in T-Coupling group System is 9.00
-80: 
 80: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 80: 
 80: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
@@ -298759,7 +298613,9 @@
 80: 
 80: Note that mdrun will redetermine rlist based on the actual pair-list setup
 80: 
-80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_3_input.mdp]:
+80: This run will generate roughly 0 Mb of data
+80: 
+80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_3_input.mdp]:
 80:   You are using a plain Coulomb cut-off, which might produce artifacts.
 80:   You might want to consider using PME electrostatics.
 80: 
@@ -298769,7 +298625,32 @@
 80: 
 80: There was 1 WARNING
 80: 
-80: This run will generate roughly 0 Mb of data
+80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_3_input.mdp]:
+80:   You have set rlist larger than the interaction cut-off, but you also have
+80:   verlet-buffer-tolerance > 0. Will set rlist using
+80:   verlet-buffer-tolerance.
+80: 
+80: 
+80: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_3_input.mdp]:
+80:   The Berendsen barostat does not generate any strictly correct ensemble,
+80:   and should not be used for new production simulations (in our opinion).
+80:   We recommend using the C-rescale barostat instead.
+80: 
+80: Setting the LD random seed to -1478498311
+80: Generating 1-4 interactions: fudge = 0.5
+80: 
+80: Generated 3 of the 3 non-bonded parameter combinations
+80: 
+80: Generated 3 of the 3 1-4 parameter combinations
+80: 
+80: Excluding 2 bonded neighbours molecule type 'SOL'
+80: 
+80: Setting gen_seed to -1409288194
+80: 
+80: Velocities were taken from a Maxwell distribution at 278 K
+80: Number of degrees of freedom in T-Coupling group System is 9.00
+80: 
+80: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 80: 
 80: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
 80: 
@@ -298777,21 +298658,21 @@
 80: 
 80: Note that mdrun will redetermine rlist based on the actual pair-list setup
 80: 
-80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_3_input.mdp]:
+80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_3_input.mdp]:
 80:   You are using a plain Coulomb cut-off, which might produce artifacts.
 80:   You might want to consider using PME electrostatics.
 80: 
 80: 
 80: 
-80: This run will generate roughly 0 Mb of data
-80: 
 80: There were 2 NOTEs
 80: 
 80: There was 1 WARNING
+80: 
+80: This run will generate roughly 0 Mb of data
+80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 80: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 80: 
-80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/WithDifferentControlVariables_ReplicaExchangeEnsembleTest_ExitsNormally_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 80: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
 80: 
 80: This is simulation 0 out of 2 running as a composite GROMACS
@@ -298807,6 +298688,10 @@
 80: 
 80: 
 80: 
+80: NOTE: The number of threads is not equal to the number of (logical) cpus
+80:       and the -pin option is set to auto: will not pin threads to cpus.
+80:       This can lead to significant performance degradation.
+80:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 80: 
 80: NOTE: The number of threads is not equal to the number of (logical) cpus
 80:       and the -pin option is set to auto: will not pin threads to cpus.
@@ -298814,154 +298699,146 @@
 80:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 80: starting mdrun 'spc2'
 80: 2 steps,      0.0 ps.
+80: starting mdrun 'spc2'
+80: 2 steps,      0.0 ps.
+80: 
+80: Writing final coordinates.
 80: 
 80: Writing final coordinates.
 80: 
 80: 
 80: Dynamic load balancing report:
 80:  DLB was off during the run due to low measured imbalance.
-80:  Average load imbalance: 3.9%.
-80:  The balanceable part of the MD step is 5%, load imbalance is computed from this.
-80:  Part of the total run time spent waiting due to load imbalance: 0.2%.
+80:  Average load imbalance: 5.1%.
+80:  The balanceable part of the MD step is 9%, load imbalance is computed from this.
+80:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 80: 
 80: 
-80: NOTE: 14 % of the run time was spent in domain decomposition,
+80: NOTE: 12 % of the run time was spent in domain decomposition,
 80:       4 % of the run time was spent in pair search,
 80:       you might want to increase nstlist (this has no effect on accuracy)
 80: 
-80: NOTE: 30 % of the run time was spent communicating energies,
+80: NOTE: 35 % of the run time was spent communicating energies,
 80:       you might want to increase some nst* mdp options
-80: NOTE: The number of threads is not equal to the number of (logical) cpus
-80:       and the -pin option is set to auto: will not pin threads to cpus.
-80:       This can lead to significant performance degradation.
-80:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-80: starting mdrun 'spc2'
-80: 2 steps,      0.0 ps.
-80: 
-80: Writing final coordinates.
 80: 
 80: 
 80: Dynamic load balancing report:
 80:  DLB was off during the run due to low measured imbalance.
-80:  Average load imbalance: 0.1%.
+80:  Average load imbalance: 2.8%.
 80:  The balanceable part of the MD step is 8%, load imbalance is computed from this.
-80:  Part of the total run time spent waiting due to load imbalance: 0.0%.
+80:  Part of the total run time spent waiting due to load imbalance: 0.2%.
 80: 
 80: 
+80: NOTE: 15 % of the run time was spent in domain decomposition,
+80:       4 % of the run time was spent in pair search,
+80:       you might want to increase nstlist (this has no effect on accuracy)
+80: 
 80: NOTE: 30 % of the run time was spent communicating energies,
 80:       you might want to increase some nst* mdp options
-80: [       OK ] WithDifferentControlVariables/ReplicaExchangeEnsembleTest.ExitsNormally/3 (8 ms)
-80: [----------] 4 tests from WithDifferentControlVariables/ReplicaExchangeEnsembleTest (43 ms total)
+80: [       OK ] WithDifferentControlVariables/ReplicaExchangeEnsembleTest.ExitsNormally/3 (7 ms)
+80: [----------] 4 tests from WithDifferentControlVariables/ReplicaExchangeEnsembleTest (40 ms total)
 80: 
 80: [----------] 1 test from InNvt/ReplicaExchangeTerminationTest
 80: [ RUN      ] InNvt/ReplicaExchangeTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts/0
 80: 
-80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
+80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
 80:   You have set rlist larger than the interaction cut-off, but you also have
 80:   verlet-buffer-tolerance > 0. Will set rlist using
 80:   verlet-buffer-tolerance.
 80: 
+80: Setting the LD random seed to -1610623706
 80: 
-80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
-80:   You have set rlist larger than the interaction cut-off, but you also have
-80:   verlet-buffer-tolerance > 0. Will set rlist using
-80:   verlet-buffer-tolerance.
+80: Generated 3 of the 3 non-bonded parameter combinations
+80: 
+80: Generated 3 of the 3 1-4 parameter combinations
+80: Generating 1-4 interactions: fudge = 0.5
 80: 
-80: Setting the LD random seed to -21239433
-80: Setting the LD random seed to -604514962
+80: Excluding 2 bonded neighbours molecule type 'SOL'
 80: 
-80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
+80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
 80:   You have set rlist larger than the interaction cut-off, but you also have
 80:   verlet-buffer-tolerance > 0. Will set rlist using
 80:   verlet-buffer-tolerance.
 80: 
-80: Setting the LD random seed to -596119973
-80: Generating 1-4 interactions: fudge = 0.5
-80: Number of degrees of freedom in T-Coupling group System is 9.00
-80: 
-80: Generated 3 of the 3 non-bonded parameter combinations
 80: 
-80: Generated 3 of the 3 1-4 parameter combinations
+80: Setting gen_seed to 872348025
 80: 
-80: Excluding 2 bonded neighbours molecule type 'SOL'
-80: 
-80: Setting gen_seed to -1813545035
-80: 
-80: Velocities were taken from a Maxwell distribution at 268 K
+80: Velocities were taken from a Maxwell distribution at 298 K
+80: Setting the LD random seed to -1064969
+80: Number of degrees of freedom in T-Coupling group System is 9.00
 80: 
 80: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 80: 
-80: Generated 3 of the 3 non-bonded parameter combinations
+80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
+80:   You have set rlist larger than the interaction cut-off, but you also have
+80:   verlet-buffer-tolerance > 0. Will set rlist using
+80:   verlet-buffer-tolerance.
 80: 
-80: Generated 3 of the 3 1-4 parameter combinations
 80: 
-80: Excluding 2 bonded neighbours molecule type 'SOL'
+80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
+80:   You have set rlist larger than the interaction cut-off, but you also have
+80:   verlet-buffer-tolerance > 0. Will set rlist using
+80:   verlet-buffer-tolerance.
 80: 
-80: Setting gen_seed to -7177
+80: Generating 1-4 interactions: fudge = 0.5
+80: Setting the LD random seed to -71835905
 80: 
-80: Velocities were taken from a Maxwell distribution at 288 K
+80: Generated 3 of the 3 non-bonded parameter combinations
 80: 
-80: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+80: Generated 3 of the 3 1-4 parameter combinations
 80: 
 80: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
 80: 
 80: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
 80: 
-80: Generated 3 of the 3 non-bonded parameter combinations
+80: Note that mdrun will redetermine rlist based on the actual pair-list setup
 80: 
-80: Generated 3 of the 3 1-4 parameter combinations
+80: This run will generate roughly 0 Mb of data
+80: Setting the LD random seed to -57025555
 80: 
-80: Excluding 2 bonded neighbours molecule type 'SOL'
+80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
+80:   You are using a plain Coulomb cut-off, which might produce artifacts.
+80:   You might want to consider using PME electrostatics.
 80: 
-80: Setting gen_seed to -1388321409
 80: 
-80: Velocities were taken from a Maxwell distribution at 278 K
 80: 
-80: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+80: There were 2 NOTEs
 80: 
-80: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
+80: Excluding 2 bonded neighbours molecule type 'SOL'
 80: 
-80: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
+80: Generated 3 of the 3 non-bonded parameter combinations
 80: 
-80: Note that mdrun will redetermine rlist based on the actual pair-list setup
-80: Setting the LD random seed to 2145382367
+80: Generated 3 of the 3 1-4 parameter combinations
 80: 
 80: Generated 3 of the 3 non-bonded parameter combinations
 80: 
 80: Generated 3 of the 3 1-4 parameter combinations
+80: Generating 1-4 interactions: fudge = 0.5
+80: Generating 1-4 interactions: fudge = 0.5
 80: 
 80: Excluding 2 bonded neighbours molecule type 'SOL'
 80: 
-80: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
+80: Excluding 2 bonded neighbours molecule type 'SOL'
 80: 
-80: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
+80: Setting gen_seed to 1911553535
 80: 
-80: Note that mdrun will redetermine rlist based on the actual pair-list setup
+80: Velocities were taken from a Maxwell distribution at 268 K
 80: 
-80: This run will generate roughly 0 Mb of data
+80: Setting gen_seed to -175875
 80: 
-80: Note that mdrun will redetermine rlist based on the actual pair-list setup
+80: Velocities were taken from a Maxwell distribution at 288 K
 80: 
-80: This run will generate roughly 0 Mb of data
-80: Generating 1-4 interactions: fudge = 0.5
+80: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 80: Number of degrees of freedom in T-Coupling group System is 9.00
-80: Generating 1-4 interactions: fudge = 0.5
 80: Number of degrees of freedom in T-Coupling group System is 9.00
 80: 
-80: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
-80:   You have set rlist larger than the interaction cut-off, but you also have
-80:   verlet-buffer-tolerance > 0. Will set rlist using
-80:   verlet-buffer-tolerance.
-80: 
-80: Generating 1-4 interactions: fudge = 0.5
-80: 
-80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
-80:   You are using a plain Coulomb cut-off, which might produce artifacts.
-80:   You might want to consider using PME electrostatics.
+80: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 80: 
+80: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
 80: 
+80: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
 80: 
-80: There were 2 NOTEs
+80: Note that mdrun will redetermine rlist based on the actual pair-list setup
 80: 
 80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
 80:   You are using a plain Coulomb cut-off, which might produce artifacts.
@@ -298971,7 +298848,7 @@
 80: 
 80: There were 2 NOTEs
 80: 
-80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
+80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
 80:   You are using a plain Coulomb cut-off, which might produce artifacts.
 80:   You might want to consider using PME electrostatics.
 80: 
@@ -298979,11 +298856,19 @@
 80: 
 80: There were 2 NOTEs
 80: 
+80: Calculated rlist for 1x1 atom pair-list as 0.744 nm, buffer size 0.044 nm
+80: 
+80: Set rlist, assuming 4x4 atom pair-list, to 0.736 nm, buffer size 0.036 nm
+80: 
+80: Note that mdrun will redetermine rlist based on the actual pair-list setup
+80: 
 80: This run will generate roughly 0 Mb of data
 80: 
-80: Setting gen_seed to 939520999
+80: Setting gen_seed to -1812580934
 80: 
-80: Velocities were taken from a Maxwell distribution at 298 K
+80: Velocities were taken from a Maxwell distribution at 278 K
+80: 
+80: This run will generate roughly 0 Mb of data
 80: Number of degrees of freedom in T-Coupling group System is 9.00
 80: 
 80: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
@@ -298994,51 +298879,50 @@
 80: 
 80: Note that mdrun will redetermine rlist based on the actual pair-list setup
 80: 
-80: This run will generate roughly 0 Mb of data
-80: 
-80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
+80: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0_input.mdp]:
 80:   You are using a plain Coulomb cut-off, which might produce artifacts.
 80:   You might want to consider using PME electrostatics.
 80: 
 80: 
 80: 
 80: There were 2 NOTEs
-80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+80: 
+80: This run will generate roughly 0 Mb of data
 80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 80: Changing nstlist from 10 to 1, rlist from 0.736 to 0.7
 80: 
 80: Changing nstlist from 10 to 1, rlist from 0.736 to 0.7
 80: 
-80: Changing nstlist from 10 to 1, rlist from 0.736 to 0.7
-80: 
-80: Changing nstlist from 10 to 1, rlist from 0.736 to 0.7
-80: 
-80: This is simulation 3 out of 4 running as a composite GROMACS
-80: multi-simulation job. Setup for this simulation:
 80: This is simulation 1 out of 4 running as a composite GROMACS
 80: multi-simulation job. Setup for this simulation:
 80: 
-80: Using 1 MPI process
+80: Changing nstlist from 10 to 1, rlist from 0.736 to 0.7
+80: 
 80: This is simulation 2 out of 4 running as a composite GROMACS
 80: multi-simulation job. Setup for this simulation:
 80: 
 80: Using 1 MPI process
+80: Changing nstlist from 10 to 1, rlist from 0.736 to 0.7
+80: 
 80: This is simulation 0 out of 4 running as a composite GROMACS
 80: multi-simulation job. Setup for this simulation:
 80: 
 80: Using 1 MPI process
+80: This is simulation 3 out of 4 running as a composite GROMACS
+80: multi-simulation job. Setup for this simulation:
 80: 
 80: Using 1 MPI process
-80: Using 1 OpenMP thread Using 1 OpenMP thread 
-80: 
 80: Using 1 OpenMP thread 
 80: 
+80: Using 1 MPI process
 80: Using 1 OpenMP thread 
 80: 
+80: Using 1 OpenMP thread 
 80: 
-80: 
+80: Using 1 OpenMP thread 
 80: 
 80: 
 80: NOTE: The number of threads is not equal to the number of (logical) cpus
@@ -299055,28 +298939,27 @@
 80:       and the -pin option is set to auto: will not pin threads to cpus.
 80:       This can lead to significant performance degradation.
 80:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
+80: 
 80: NOTE: The number of threads is not equal to the number of (logical) cpus
 80:       and the -pin option is set to auto: will not pin threads to cpus.
 80:       This can lead to significant performance degradation.
 80:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 80: starting mdrun 'spc2'
 80: 100 steps,      0.1 ps.
-80: 
-80: Step 6: Run time exceeded 0.000 hours, will terminate the run within 400 steps
 80: starting mdrun 'spc2'
 80: 100 steps,      0.1 ps.
-80: 
-80: Step 5: Run time exceeded 0.000 hours, will terminate the run within 400 steps
 80: starting mdrun 'spc2'
 80: 100 steps,      0.1 ps.
-80: 
-80: Step 5: Run time exceeded 0.000 hours, will terminate the run within 400 steps
 80: starting mdrun 'spc2'
 80: 100 steps,      0.1 ps.
 80: 
-80: Step 5: Run time exceeded 0.000 hours, will terminate the run within 400 steps
+80: Step 6: Run time exceeded 0.000 hours, will terminate the run within 400 steps
 80: 
-80: Writing final coordinates.
+80: Step 6: Run time exceeded 0.000 hours, will terminate the run within 400 steps
+80: 
+80: Step 6: Run time exceeded 0.000 hours, will terminate the run within 400 steps
+80: 
+80: Step 6: Run time exceeded 0.000 hours, will terminate the run within 400 steps
 80: 
 80: Writing final coordinates.
 80: 
@@ -299084,44 +298967,50 @@
 80: 
 80: Writing final coordinates.
 80: 
+80: Writing final coordinates.
 80: 
-80: NOTE: 15 % of the run time was spent in pair search,
+80: NOTE: 11 % of the run time was spent in pair search,
 80:       you might want to increase nstlist (this has no effect on accuracy)
 80: 
-80: NOTE: 12 % of the run time was spent in pair search,
-80:       you might want to increase nstlist (this has no effect on accuracy)
 80: NOTE: 13 % of the run time was spent in pair search,
 80:       you might want to increase nstlist (this has no effect on accuracy)
 80: 
-80: NOTE: 12 % of the run time was spent in pair search,
+80: NOTE: 14 % of the run time was spent in pair search,
 80:       you might want to increase nstlist (this has no effect on accuracy)
-80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_ReplicaExcReading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+80: 
+80: NOTE: 13 % of the run time was spent in pair search,
+80:       you might want to increase nstlist (this has no effect on accuracy)
+80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-80: hangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+80: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/InNvt_ReplicaExchangeTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 80: Overriding nsteps with value passed on the command line: 2 steps, 0.002 ps
 80: Overriding nsteps with value passed on the command line: 2 steps, 0.002 ps
 80: Overriding nsteps with value passed on the command line: 2 steps, 0.002 ps
 80: Overriding nsteps with value passed on the command line: 2 steps, 0.002 ps
+80: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
+80: 
 80: Changing nstlist from 10 to 25, rlist from 0.737 to 0.812
 80: 
+80: Changing nstlist from 10 to 25, rlist from 0.737 to 0.812
+80: 
+80: Changing nstlist from 10 to 25, rlist from 0.737 to 0.812
+80: 
+80: 
+80: This is simulation 2 out of 4 running as a composite GROMACS
+80: multi-simulation job. Setup for this simulation:
+80: 
 80: 
 80: This is simulation 0 out of 4 running as a composite GROMACS
 80: multi-simulation job. Setup for this simulation:
 80: 
 80: Using 1 MPI process
-80: Using 1 OpenMP thread 
-80: 
 80: 
-80: NOTE: The number of threads is not equal to the number of (logical) cpus
-80:       and the -pin option is set to auto: will not pin threads to cpus.
-80:       This can lead to significant performance degradation.
-80:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-80: starting mdrun 'spc2'
-80: 102 steps,      0.1 ps (continuing from step 100,      0.1 ps).
+80: This is simulation 1 out of 4 running as a composite GROMACS
+80: multi-simulation job. Setup for this simulation:
 80: 
-80: Writing final coordinates.
-80: Changing nstlist from 10 to 25, rlist from 0.737 to 0.812
+80: Using 1 MPI process
+80: Using 1 OpenMP thread 
 80: 
 80: 
 80: This is simulation 3 out of 4 running as a composite GROMACS
@@ -299130,42 +299019,26 @@
 80: Using 1 MPI process
 80: Using 1 OpenMP thread 
 80: 
+80: Using 1 MPI process
+80: Using 1 OpenMP thread 
+80: 
+80: Using 1 OpenMP thread 
+80: 
 80: 
 80: NOTE: The number of threads is not equal to the number of (logical) cpus
 80:       and the -pin option is set to auto: will not pin threads to cpus.
 80:       This can lead to significant performance degradation.
 80:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-80: starting mdrun 'spc2'
-80: 102 steps,      0.1 ps (continuing from step 100,      0.1 ps).
-80: 
-80: Writing final coordinates.
-80: Changing nstlist from 10 to 25, rlist from 0.737 to 0.812
-80: 
-80: 
-80: This is simulation 2 out of 4 running as a composite GROMACS
-80: multi-simulation job. Setup for this simulation:
-80: 
-80: Using 1 MPI process
-80: Using 1 OpenMP thread 
-80: 
 80: 
 80: NOTE: The number of threads is not equal to the number of (logical) cpus
 80:       and the -pin option is set to auto: will not pin threads to cpus.
 80:       This can lead to significant performance degradation.
 80:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-80: starting mdrun 'spc2'
-80: 102 steps,      0.1 ps (continuing from step 100,      0.1 ps).
-80: 
-80: Writing final coordinates.
-80: Changing nstlist from 10 to 25, rlist from 0.736 to 0.811
-80: 
-80: 
-80: This is simulation 1 out of 4 running as a composite GROMACS
-80: multi-simulation job. Setup for this simulation:
-80: 
-80: Using 1 MPI process
-80: Using 1 OpenMP thread 
 80: 
+80: NOTE: The number of threads is not equal to the number of (logical) cpus
+80:       and the -pin option is set to auto: will not pin threads to cpus.
+80:       This can lead to significant performance degradation.
+80:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 80: 
 80: NOTE: The number of threads is not equal to the number of (logical) cpus
 80:       and the -pin option is set to auto: will not pin threads to cpus.
@@ -299173,15 +299046,27 @@
 80:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 80: starting mdrun 'spc2'
 80: 102 steps,      0.1 ps (continuing from step 100,      0.1 ps).
+80: starting mdrun 'spc2'
+80: 102 steps,      0.1 ps (continuing from step 100,      0.1 ps).
+80: starting mdrun 'spc2'
+80: 102 steps,      0.1 ps (continuing from step 100,      0.1 ps).
+80: starting mdrun 'spc2'
+80: 102 steps,      0.1 ps (continuing from step 100,      0.1 ps).
+80: 
+80: Writing final coordinates.
+80: 
+80: Writing final coordinates.
+80: 
+80: Writing final coordinates.
 80: 
 80: Writing final coordinates.
 80: [       OK ] InNvt/ReplicaExchangeTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts/0 (13 ms)
 80: [----------] 1 test from InNvt/ReplicaExchangeTerminationTest (13 ms total)
 80: 
 80: [----------] Global test environment tear-down
-80: [==========] 5 tests from 2 test suites ran. (74 ms total)
+80: [==========] 5 tests from 2 test suites ran. (79 ms total)
 80: [  PASSED  ] 5 tests.
-80/96 Test #80: MdrunMultiSimReplexTests .....................   Passed    0.28 sec
+80/96 Test #80: MdrunMultiSimReplexTests .....................   Passed    0.27 sec
 test 81
       Start 81: MdrunMultiSimReplexEquivalenceTests
 
@@ -299193,7 +299078,7 @@
 81: [----------] 8 tests from LF/ReplicaExchangeTest
 81: [ RUN      ] LF/ReplicaExchangeTest.Works/md_Vrescale_Crescale_4Ranks_1RanksPerSim_s
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
@@ -299205,13 +299090,13 @@
 81:   verlet-buffer-tolerance.
 81: 
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
@@ -299221,8 +299106,8 @@
 81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generating 1-4 interactions: fudge = 0.5
 81: Generated 330891 of the 330891 non-bonded parameter combinations
-81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generating 1-4 interactions: fudge = 0.5
+81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generating 1-4 interactions: fudge = 0.5
 81: 
 81: Generated 330891 of the 330891 1-4 parameter combinations
@@ -299230,43 +299115,43 @@
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
 81: Velocities were taken from a Maxwell distribution at 288 K
+81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
-81: Generated 330891 of the 330891 1-4 parameter combinations
+81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 81: 
-81: Generated 330891 of the 330891 1-4 parameter combinations
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
+81:   You are using a plain Coulomb cut-off, which might produce artifacts.
+81:   You might want to consider using PME electrostatics.
 81: 
-81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
-81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
-81: Velocities were taken from a Maxwell distribution at 298 K
+81: There were 2 NOTEs
 81: 
-81: Velocities were taken from a Maxwell distribution at 268 K
+81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
 81: 
-81: Generated 330891 of the 330891 1-4 parameter combinations
+81: Set rlist, assuming 4x4 atom pair-list, to 0.741 nm, buffer size 0.041 nm
 81: 
-81: Excluding 2 bonded neighbours molecule type 'SOL'
+81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
-81: Velocities were taken from a Maxwell distribution at 278 K
-81: Number of degrees of freedom in T-Coupling group System is 27.00
+81: This run will generate roughly 0 Mb of data
 81: 
-81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
-81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
+81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
-81: Set rlist, assuming 4x4 atom pair-list, to 0.741 nm, buffer size 0.041 nm
+81: Velocities were taken from a Maxwell distribution at 278 K
 81: 
-81: Note that mdrun will redetermine rlist based on the actual pair-list setup
+81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
-81: This run will generate roughly 0 Mb of data
+81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
-81:   You are using a plain Coulomb cut-off, which might produce artifacts.
-81:   You might want to consider using PME electrostatics.
+81: Velocities were taken from a Maxwell distribution at 298 K
 81: 
+81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
+81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
-81: There were 2 NOTEs
+81: Velocities were taken from a Maxwell distribution at 268 K
 81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
 81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
@@ -299277,15 +299162,15 @@
 81: 
 81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
+81: This run will generate roughly 0 Mb of data
+81: 
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You are using a plain Coulomb cut-off, which might produce artifacts.
 81:   You might want to consider using PME electrostatics.
 81: 
 81: 
 81: 
 81: There were 2 NOTEs
-81: 
-81: This run will generate roughly 0 Mb of data
 81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
 81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
@@ -299296,14 +299181,14 @@
 81: 
 81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
+81: This run will generate roughly 0 Mb of data
+81: 
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You are using a plain Coulomb cut-off, which might produce artifacts.
 81:   You might want to consider using PME electrostatics.
 81: 
 81: 
 81: 
-81: This run will generate roughly 0 Mb of data
-81: 
 81: There were 2 NOTEs
 81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
@@ -299317,37 +299202,39 @@
 81: 
 81: This run will generate roughly 0 Mb of data
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You are using a plain Coulomb cut-off, which might produce artifacts.
 81:   You might want to consider using PME electrostatics.
 81: 
 81: 
 81: 
 81: There were 2 NOTEs
-81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
 81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
-81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
+81: This is simulation 1 out of 4 running as a composite GROMACS
+81: multi-simulation job. Setup for this simulation:
 81: 
+81: Using 1 MPI process
 81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
-81: This is simulation 0 out of 4 running as a composite GROMACS
+81: This is simulation 2 out of 4 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 1 MPI process
-81: This is simulation 1 out of 4 running as a composite GROMACS
-81: multi-simulation job. Setup for this simulation:
+81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
-81: Using 1 MPI process
-81: This is simulation 2 out of 4 running as a composite GROMACS
+81: This is simulation 0 out of 4 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 1 MPI process
+81: Using 1 OpenMP thread 
+81: 
 81: This is simulation 3 out of 4 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
@@ -299358,8 +299245,6 @@
 81: 
 81: Using 1 OpenMP thread 
 81: 
-81: Using 1 OpenMP thread 
-81: 
 81: 
 81: NOTE: The number of threads is not equal to the number of (logical) cpus
 81:       and the -pin option is set to auto: will not pin threads to cpus.
@@ -299405,16 +299290,16 @@
 81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 81: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_1RanksPerSim_s.edr as single precision energy file
 81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
-81: [       OK ] LF/ReplicaExchangeTest.Works/md_Vrescale_Crescale_4Ranks_1RanksPerSim_s (177 ms)
+81: [       OK ] LF/ReplicaExchangeTest.Works/md_Vrescale_Crescale_4Ranks_1RanksPerSim_s (207 ms)
 81: [ RUN      ] LF/ReplicaExchangeTest.Works/md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
 81: 
-81: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
+81: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You are generating velocities so I am assuming you are equilibrating a
 81:   system. You are using Parrinello-Rahman pressure coupling, but this can
 81:   be unstable for equilibration. If your system crashes, try equilibrating
@@ -299422,7 +299307,6 @@
 81:   system, you can probably ignore this warning.
 81: 
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExcha
 81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
@@ -299437,26 +299321,27 @@
 81:   system, you can probably ignore this warning.
 81: 
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
 81: 
-81: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
+81: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You are generating velocities so I am assuming you are equilibrating a
 81:   system. You are using Parrinello-Rahman pressure coupling, but this can
 81:   be unstable for equilibration. If your system crashes, try equilibrating
 81:   first with Berendsen pressure coupling. If you are not equilibrating the
 81:   system, you can probably ignore this warning.
 81: 
-81: ngeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
+81: 
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
 81: 
-81: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
+81: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You are generating velocities so I am assuming you are equilibrating a
 81:   system. You are using Parrinello-Rahman pressure coupling, but this can
 81:   be unstable for equilibration. If your system crashes, try equilibrating
@@ -299466,46 +299351,39 @@
 81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generated 330891 of the 330891 non-bonded parameter combinations
-81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generating 1-4 interactions: fudge = 0.5
 81: Generating 1-4 interactions: fudge = 0.5
 81: Generating 1-4 interactions: fudge = 0.5
+81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generating 1-4 interactions: fudge = 0.5
 81: 
 81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
-81: Excluding 2 bonded neighbours molecule type 'SOL'
-81: 
-81: Velocities were taken from a Maxwell distribution at 268 K
-81: 
 81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
-81: Velocities were taken from a Maxwell distribution at 298 K
-81: 
-81: Generated 330891 of the 330891 1-4 parameter combinations
-81: 
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
 81: Velocities were taken from a Maxwell distribution at 288 K
 81: 
+81: Velocities were taken from a Maxwell distribution at 268 K
+81: 
 81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
 81: Velocities were taken from a Maxwell distribution at 278 K
-81: Number of degrees of freedom in T-Coupling group System is 27.00
-81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
-81:   You are using a plain Coulomb cut-off, which might produce artifacts.
-81:   You might want to consider using PME electrostatics.
+81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
+81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
+81: Velocities were taken from a Maxwell distribution at 298 K
+81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You are using a plain Coulomb cut-off, which might produce artifacts.
 81:   You might want to consider using PME electrostatics.
 81: 
@@ -299515,7 +299393,7 @@
 81: 
 81: There was 1 WARNING
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You are using a plain Coulomb cut-off, which might produce artifacts.
 81:   You might want to consider using PME electrostatics.
 81: 
@@ -299527,24 +299405,16 @@
 81: 
 81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 81: 
-81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
-81: 
 81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
 81: 
 81: Set rlist, assuming 4x4 atom pair-list, to 0.741 nm, buffer size 0.041 nm
 81: 
 81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
-81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
-81: 
-81: Set rlist, assuming 4x4 atom pair-list, to 0.741 nm, buffer size 0.041 nm
+81: This run will generate roughly 0 Mb of data
 81: 
 81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 81: 
-81: Note that mdrun will redetermine rlist based on the actual pair-list setup
-81: 
-81: This run will generate roughly 0 Mb of data
-81: 
 81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
 81: 
 81: Set rlist, assuming 4x4 atom pair-list, to 0.741 nm, buffer size 0.041 nm
@@ -299552,13 +299422,10 @@
 81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
 81: This run will generate roughly 0 Mb of data
-81: 
-81: 
-81: There were 2 NOTEs
-81: 
-81: There was 1 WARNING
 81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
+81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+81: 
 81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You are using a plain Coulomb cut-off, which might produce artifacts.
 81:   You might want to consider using PME electrostatics.
@@ -299568,7 +299435,15 @@
 81: There were 2 NOTEs
 81: 
 81: There was 1 WARNING
+81: 
+81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
+81: 
+81: Set rlist, assuming 4x4 atom pair-list, to 0.741 nm, buffer size 0.041 nm
+81: 
+81: Note that mdrun will redetermine rlist based on the actual pair-list setup
+81: 
 81: This run will generate roughly 0 Mb of data
+81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
 81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 81: 
@@ -299578,42 +299453,52 @@
 81: 
 81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
-81: This run will generate roughly 0 Mb of data
-81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchanReading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-81: geTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
+81:   You are using a plain Coulomb cut-off, which might produce artifacts.
+81:   You might want to consider using PME electrostatics.
 81: 
-81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
-81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
+81: There were 2 NOTEs
+81: 
+81: There was 1 WARNING
+81: 
+81: This run will generate roughly 0 Mb of data
+81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
 81: This is simulation 0 out of 4 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
-81: This is simulation 3 out of 4 running as a composite GROMACS
-81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 1 MPI process
-81: This is simulation 2 out of 4 running as a composite GROMACS
-81: multi-simulation job. Setup for this simulation:
+81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
-81: Using 1 MPI process
 81: This is simulation 1 out of 4 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 1 MPI process
+81: Using 1 OpenMP thread 
 81: 
-81: Using 1 MPI process
-81: Using 1 OpenMP thread Using 1 OpenMP thread 
+81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
-81: Using 1 OpenMP thread 
+81: This is simulation 3 out of 4 running as a composite GROMACS
+81: multi-simulation job. Setup for this simulation:
 81: 
+81: Using 1 MPI process
 81: Using 1 OpenMP thread 
 81: 
+81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
+81: 
+81: This is simulation 2 out of 4 running as a composite GROMACS
+81: multi-simulation job. Setup for this simulation:
+81: 
+81: Using 1 MPI process
+81: Using 1 OpenMP thread 
 81: 
+81: Using 1 OpenMP thread 
 81: 
 81: 
 81: NOTE: The number of threads is not equal to the number of (logical) cpus
@@ -299659,38 +299544,38 @@
 81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 81: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s.edr as single precision energy file
 81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
-81: [       OK ] LF/ReplicaExchangeTest.Works/md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s (160 ms)
+81: [       OK ] LF/ReplicaExchangeTest.Works/md_Vrescale_ParrinelloRahman_4Ranks_1RanksPerSim_s (167 ms)
 81: [ RUN      ] LF/ReplicaExchangeTest.Works/md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to
 81:   1
 81: 
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to
 81:   1
 81: 
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to
 81:   1
 81: 
@@ -299706,15 +299591,13 @@
 81:   1
 81: 
 81: Generated 330891 of the 330891 non-bonded parameter combinations
-81: Generating 1-4 interactions: fudge = 0.5
-81: Generated 330891 of the 330891 non-bonded parameter combinations
-81: Generating 1-4 interactions: fudge = 0.5
 81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generating 1-4 interactions: fudge = 0.5
 81: Generating 1-4 interactions: fudge = 0.5
-81: 
-81: Generated 330891 of the 330891 1-4 parameter combinations
+81: Generating 1-4 interactions: fudge = 0.5
+81: Generated 330891 of the 330891 non-bonded parameter combinations
+81: Generating 1-4 interactions: fudge = 0.5
 81: 
 81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
@@ -299722,24 +299605,35 @@
 81: 
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
-81: Velocities were taken from a Maxwell distribution at 298 K
-81: 
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
 81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
+81: Velocities were taken from a Maxwell distribution at 268 K
+81: 
+81: Velocities were taken from a Maxwell distribution at 288 K
+81: 
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
 81: Velocities were taken from a Maxwell distribution at 278 K
 81: 
-81: Velocities were taken from a Maxwell distribution at 268 K
+81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
-81: Velocities were taken from a Maxwell distribution at 288 K
+81: Velocities were taken from a Maxwell distribution at 298 K
+81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
-81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
+81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+81: 
+81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
+81: 
+81: Set rlist, assuming 4x4 atom pair-list, to 0.741 nm, buffer size 0.041 nm
+81: 
+81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+81: 
+81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You are using a plain Coulomb cut-off, which might produce artifacts.
 81:   You might want to consider using PME electrostatics.
 81: 
@@ -299747,7 +299641,17 @@
 81: 
 81: There were 3 NOTEs
 81: 
-81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
+81:   You are using a plain Coulomb cut-off, which might produce artifacts.
+81:   You might want to consider using PME electrostatics.
+81: 
+81: 
+81: 
+81: There were 3 NOTEs
+81: 
+81: Note that mdrun will redetermine rlist based on the actual pair-list setup
+81: 
+81: This run will generate roughly 0 Mb of data
 81: 
 81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
 81: 
@@ -299756,6 +299660,7 @@
 81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
 81: This run will generate roughly 0 Mb of data
+81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
 81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 81: 
@@ -299766,7 +299671,6 @@
 81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
 81: This run will generate roughly 0 Mb of data
-81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
 81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You are using a plain Coulomb cut-off, which might produce artifacts.
@@ -299779,14 +299683,7 @@
 81: 
 81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 81: 
-81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
-81: 
-81: Set rlist, assuming 4x4 atom pair-list, to 0.741 nm, buffer size 0.041 nm
-81: 
-81: Note that mdrun will redetermine rlist based on the actual pair-list setup
-81: Number of degrees of freedom in T-Coupling group System is 27.00
-81: 
-81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You are using a plain Coulomb cut-off, which might produce artifacts.
 81:   You might want to consider using PME electrostatics.
 81: 
@@ -299794,10 +299691,6 @@
 81: 
 81: There were 3 NOTEs
 81: 
-81: This run will generate roughly 0 Mb of data
-81: 
-81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
-81: 
 81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
 81: 
 81: Set rlist, assuming 4x4 atom pair-list, to 0.741 nm, buffer size 0.041 nm
@@ -299805,37 +299698,29 @@
 81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
 81: This run will generate roughly 0 Mb of data
-81: 
-81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s_input.mdp]:
-81:   You are using a plain Coulomb cut-off, which might produce artifacts.
-81:   You might want to consider using PME electrostatics.
-81: 
-81: 
-81: 
-81: There were 3 NOTEs
-81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
 81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
-81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
-81: 
-81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
-81: 
-81: This is simulation 0 out of 4 running as a composite GROMACS
+81: This is simulation 2 out of 4 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 1 MPI process
+81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
+81: 
 81: This is simulation 3 out of 4 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 1 MPI process
 81: Using 1 OpenMP thread 
 81: 
-81: This is simulation 2 out of 4 running as a composite GROMACS
+81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
+81: 
+81: This is simulation 0 out of 4 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 1 MPI process
@@ -299893,7 +299778,7 @@
 81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 81: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s.edr as single precision energy file
 81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
-81: [       OK ] LF/ReplicaExchangeTest.Works/md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s (162 ms)
+81: [       OK ] LF/ReplicaExchangeTest.Works/md_NoseHoover_Crescale_4Ranks_1RanksPerSim_s (165 ms)
 81: [ RUN      ] LF/ReplicaExchangeTest.Works/md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s
 81: 
 81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
@@ -299915,18 +299800,18 @@
 81:   system, you can probably ignore this warning.
 81: 
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to
 81:   1
 81: 
 81: 
-81: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
+81: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You are generating velocities so I am assuming you are equilibrating a
 81:   system. You are using Parrinello-Rahman pressure coupling, but this can
 81:   be unstable for equilibration. If your system crashes, try equilibrating
@@ -299953,18 +299838,18 @@
 81:   system, you can probably ignore this warning.
 81: 
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to
 81:   1
 81: 
 81: 
-81: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
+81: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You are generating velocities so I am assuming you are equilibrating a
 81:   system. You are using Parrinello-Rahman pressure coupling, but this can
 81:   be unstable for equilibration. If your system crashes, try equilibrating
@@ -299973,47 +299858,37 @@
 81: 
 81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generated 330891 of the 330891 non-bonded parameter combinations
-81: Generated 330891 of the 330891 non-bonded parameter combinations
-81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generating 1-4 interactions: fudge = 0.5
 81: Generating 1-4 interactions: fudge = 0.5
+81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generating 1-4 interactions: fudge = 0.5
+81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generating 1-4 interactions: fudge = 0.5
 81: 
 81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
-81: Generated 330891 of the 330891 1-4 parameter combinations
-81: 
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
-81: Velocities were taken from a Maxwell distribution at 278 K
+81: Velocities were taken from a Maxwell distribution at 288 K
 81: 
 81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
-81: Velocities were taken from a Maxwell distribution at 298 K
-81: 
-81: Excluding 2 bonded neighbours molecule type 'SOL'
-81: 
 81: Velocities were taken from a Maxwell distribution at 268 K
 81: 
 81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
-81: Velocities were taken from a Maxwell distribution at 288 K
-81: Number of degrees of freedom in T-Coupling group System is 27.00
-81: 
-81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
-81: 
-81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
+81: Velocities were taken from a Maxwell distribution at 278 K
 81: 
-81: Set rlist, assuming 4x4 atom pair-list, to 0.741 nm, buffer size 0.041 nm
+81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
-81: Note that mdrun will redetermine rlist based on the actual pair-list setup
+81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
-81: This run will generate roughly 0 Mb of data
+81: Velocities were taken from a Maxwell distribution at 298 K
+81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
 81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 81: 
@@ -300025,7 +299900,7 @@
 81: 
 81: This run will generate roughly 0 Mb of data
 81: 
-81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You are using a plain Coulomb cut-off, which might produce artifacts.
 81:   You might want to consider using PME electrostatics.
 81: 
@@ -300036,7 +299911,17 @@
 81: There was 1 WARNING
 81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
-81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
+81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+81: 
+81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
+81: 
+81: Set rlist, assuming 4x4 atom pair-list, to 0.741 nm, buffer size 0.041 nm
+81: 
+81: Note that mdrun will redetermine rlist based on the actual pair-list setup
+81: 
+81: This run will generate roughly 0 Mb of data
+81: 
+81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You are using a plain Coulomb cut-off, which might produce artifacts.
 81:   You might want to consider using PME electrostatics.
 81: 
@@ -300057,9 +299942,7 @@
 81: 
 81: This run will generate roughly 0 Mb of data
 81: 
-81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
-81: 
-81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You are using a plain Coulomb cut-off, which might produce artifacts.
 81:   You might want to consider using PME electrostatics.
 81: 
@@ -300070,6 +299953,8 @@
 81: There was 1 WARNING
 81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
+81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+81: 
 81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
 81: 
 81: Set rlist, assuming 4x4 atom pair-list, to 0.741 nm, buffer size 0.041 nm
@@ -300078,7 +299963,7 @@
 81: 
 81: This run will generate roughly 0 Mb of data
 81: 
-81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
+81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You are using a plain Coulomb cut-off, which might produce artifacts.
 81:   You might want to consider using PME electrostatics.
 81: 
@@ -300087,43 +299972,43 @@
 81: There were 3 NOTEs
 81: 
 81: There was 1 WARNING
-81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
 81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
-81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
+81: This is simulation 3 out of 4 running as a composite GROMACS
+81: multi-simulation job. Setup for this simulation:
 81: 
+81: Using 1 MPI process
 81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
 81: This is simulation 1 out of 4 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
-81: This is simulation 2 out of 4 running as a composite GROMACS
-81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 1 MPI process
-81: Using 1 OpenMP thread 
+81: Using 1 OpenMP thread Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
-81: This is simulation 3 out of 4 running as a composite GROMACS
+81: This is simulation 0 out of 4 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 1 MPI process
 81: Using 1 OpenMP thread 
 81: 
-81: This is simulation 0 out of 4 running as a composite GROMACS
+81: This is simulation 2 out of 4 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 1 MPI process
 81: Using 1 OpenMP thread 
 81: 
-81: 
-81: Using 1 MPI process
 81: Using 1 OpenMP thread 
 81: 
 81: 
+81: 
+81: 
 81: NOTE: The number of threads is not equal to the number of (logical) cpus
 81:       and the -pin option is set to auto: will not pin threads to cpus.
 81:       This can lead to significant performance degradation.
@@ -300144,12 +300029,12 @@
 81:       This can lead to significant performance degradation.
 81:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 81: starting mdrun 'spc2'
-81: starting mdrun 'spc2'
 81: 16 steps,      0.0 ps.
 81: starting mdrun 'spc2'
 81: 16 steps,      0.0 ps.
 81: starting mdrun 'spc2'
 81: 16 steps,      0.0 ps.
+81: starting mdrun 'spc2'
 81: 16 steps,      0.0 ps.
 81: 
 81: Writing final coordinates.
@@ -300167,16 +300052,16 @@
 81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 81: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s.edr as single precision energy file
 81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
-81: [       OK ] LF/ReplicaExchangeTest.Works/md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s (161 ms)
+81: [       OK ] LF/ReplicaExchangeTest.Works/md_NoseHoover_ParrinelloRahman_4Ranks_1RanksPerSim_s (165 ms)
 81: [ RUN      ] LF/ReplicaExchangeTest.Works/md_Vrescale_Crescale_4Ranks_2RanksPerSim_s
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_2RanksPerSim_s_input.mdp]:
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_2RanksPerSim_s_input.mdp]:
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
@@ -300190,17 +300075,25 @@
 81: 
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
-81: Velocities were taken from a Maxwell distribution at 298 K
+81: Velocities were taken from a Maxwell distribution at 278 K
 81: 
 81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
-81: Velocities were taken from a Maxwell distribution at 278 K
+81: Velocities were taken from a Maxwell distribution at 298 K
 81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
 81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 81: 
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_2RanksPerSim_s_input.mdp]:
+81:   You are using a plain Coulomb cut-off, which might produce artifacts.
+81:   You might want to consider using PME electrostatics.
+81: 
+81: 
+81: 
+81: There were 2 NOTEs
+81: 
 81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
 81: 
 81: Set rlist, assuming 4x4 atom pair-list, to 0.741 nm, buffer size 0.041 nm
@@ -300208,6 +300101,9 @@
 81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
 81: This run will generate roughly 0 Mb of data
+81: Number of degrees of freedom in T-Coupling group System is 27.00
+81: 
+81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 81: 
 81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   You are using a plain Coulomb cut-off, which might produce artifacts.
@@ -300216,9 +300112,6 @@
 81: 
 81: 
 81: There were 2 NOTEs
-81: Number of degrees of freedom in T-Coupling group System is 27.00
-81: 
-81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 81: 
 81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
 81: 
@@ -300226,14 +300119,6 @@
 81: 
 81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_2RanksPerSim_s_input.mdp]:
-81:   You are using a plain Coulomb cut-off, which might produce artifacts.
-81:   You might want to consider using PME electrostatics.
-81: 
-81: 
-81: 
-81: There were 2 NOTEs
-81: 
 81: This run will generate roughly 0 Mb of data
 81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_2RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_Crescale_4Ranks_2RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -300241,13 +300126,13 @@
 81: 
 81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
-81: This is simulation 0 out of 2 running as a composite GROMACS
+81: This is simulation 1 out of 2 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 2 MPI processes
 81: Using 1 OpenMP thread per MPI process
 81: 
-81: This is simulation 1 out of 2 running as a composite GROMACS
+81: This is simulation 0 out of 2 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 2 MPI processes
@@ -300276,27 +300161,27 @@
 81: Dynamic load balancing report:
 81:  DLB was off during the run due to low measured imbalance.
 81:  Average load imbalance: 1.4%.
-81:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-81:  Part of the total run time spent waiting due to load imbalance: 0.6%.
-81: 
-81: 
-81: NOTE: 14 % of the run time was spent in domain decomposition,
-81:       4 % of the run time was spent in pair search,
-81:       you might want to increase nstlist (this has no effect on accuracy)
+81:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+81:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 81: 
-81: NOTE: 6 % of the run time was spent communicating energies,
-81:       you might want to increase some nst* mdp options
 81: 
 81: 
 81: Dynamic load balancing report:
 81:  DLB was off during the run due to low measured imbalance.
-81:  Average load imbalance: 0.7%.
-81:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-81:  Part of the total run time spent waiting due to load imbalance: 0.3%.
+81:  Average load imbalance: 1.1%.
+81:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+81:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 81: 
 81: 
-81: NOTE: 15 % of the run time was spent in domain decomposition,
-81:       4 % of the run time was spent in pair search,
+81: NOTE: 12 % of the run time was spent in domain decomposition,
+81:       3 % of the run time was spent in pair search,
+81:       you might want to increase nstlist (this has no effect on accuracy)
+81: 
+81: NOTE: 6 % of the run time was spent communicating energies,
+81:       you might want to increase some nst* mdp options
+81: 
+81: NOTE: 12 % of the run time was spent in domain decomposition,
+81:       3 % of the run time was spent in pair search,
 81:       you might want to increase nstlist (this has no effect on accuracy)
 81: 
 81: NOTE: 6 % of the run time was spent communicating energies,
@@ -300308,13 +300193,13 @@
 81: [       OK ] LF/ReplicaExchangeTest.Works/md_Vrescale_Crescale_4Ranks_2RanksPerSim_s (152 ms)
 81: [ RUN      ] LF/ReplicaExchangeTest.Works/md_Vrescale_ParrinelloRahman_4Ranks_2RanksPerSim_s
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
 81: 
-81: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
+81: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   You are generating velocities so I am assuming you are equilibrating a
 81:   system. You are using Parrinello-Rahman pressure coupling, but this can
 81:   be unstable for equilibration. If your system crashes, try equilibrating
@@ -300322,13 +300207,13 @@
 81:   system, you can probably ignore this warning.
 81: 
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
 81: 
-81: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
+81: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   You are generating velocities so I am assuming you are equilibrating a
 81:   system. You are using Parrinello-Rahman pressure coupling, but this can
 81:   be unstable for equilibration. If your system crashes, try equilibrating
@@ -300336,21 +300221,21 @@
 81:   system, you can probably ignore this warning.
 81: 
 81: Generated 330891 of the 330891 non-bonded parameter combinations
-81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generating 1-4 interactions: fudge = 0.5
+81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generating 1-4 interactions: fudge = 0.5
 81: 
 81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
-81: Generated 330891 of the 330891 1-4 parameter combinations
-81: 
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
+81: Velocities were taken from a Maxwell distribution at 278 K
+81: 
+81: Generated 330891 of the 330891 1-4 parameter combinations
+81: 
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
 81: Velocities were taken from a Maxwell distribution at 298 K
-81: 
-81: Velocities were taken from a Maxwell distribution at 278 K
 81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
 81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
@@ -300363,10 +300248,7 @@
 81: 
 81: This run will generate roughly 0 Mb of data
 81: 
-81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
-81: Number of degrees of freedom in T-Coupling group System is 27.00
-81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   You are using a plain Coulomb cut-off, which might produce artifacts.
 81:   You might want to consider using PME electrostatics.
 81: 
@@ -300375,8 +300257,11 @@
 81: There were 2 NOTEs
 81: 
 81: There was 1 WARNING
+81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
+81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+81: 
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   You are using a plain Coulomb cut-off, which might produce artifacts.
 81:   You might want to consider using PME electrostatics.
 81: 
@@ -300416,8 +300301,6 @@
 81:       and the -pin option is set to auto: will not pin threads to cpus.
 81:       This can lead to significant performance degradation.
 81:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-81: starting mdrun 'spc2'
-81: 16 steps,      0.0 ps.
 81: 
 81: NOTE: The number of threads is not equal to the number of (logical) cpus
 81:       and the -pin option is set to auto: will not pin threads to cpus.
@@ -300425,6 +300308,8 @@
 81:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 81: starting mdrun 'spc2'
 81: 16 steps,      0.0 ps.
+81: starting mdrun 'spc2'
+81: 16 steps,      0.0 ps.
 81: 
 81: Writing final coordinates.
 81: 
@@ -300433,20 +300318,20 @@
 81: 
 81: Dynamic load balancing report:
 81:  DLB was off during the run due to low measured imbalance.
-81:  Average load imbalance: 1.6%.
-81:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
+81:  Average load imbalance: 1.5%.
+81:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
 81:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 81: 
 81: 
 81: 
 81: Dynamic load balancing report:
 81:  DLB was off during the run due to low measured imbalance.
-81:  Average load imbalance: 0.4%.
-81:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-81:  Part of the total run time spent waiting due to load imbalance: 0.2%.
+81:  Average load imbalance: 0.7%.
+81:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+81:  Part of the total run time spent waiting due to load imbalance: 0.3%.
 81: 
 81: 
-81: NOTE: 14 % of the run time was spent in domain decomposition,
+81: NOTE: 13 % of the run time was spent in domain decomposition,
 81:       3 % of the run time was spent in pair search,
 81:       you might want to increase nstlist (this has no effect on accuracy)
 81: 
@@ -300454,7 +300339,7 @@
 81:       you might want to increase some nst* mdp options
 81: 
 81: NOTE: 13 % of the run time was spent in domain decomposition,
-81:       4 % of the run time was spent in pair search,
+81:       3 % of the run time was spent in pair search,
 81:       you might want to increase nstlist (this has no effect on accuracy)
 81: 
 81: NOTE: 6 % of the run time was spent communicating energies,
@@ -300463,48 +300348,56 @@
 81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 81: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_Vrescale_ParrinelloRahman_4Ranks_2RanksPerSim_s.edr as single precision energy file
 81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
-81: [       OK ] LF/ReplicaExchangeTest.Works/md_Vrescale_ParrinelloRahman_4Ranks_2RanksPerSim_s (151 ms)
+81: [       OK ] LF/ReplicaExchangeTest.Works/md_Vrescale_ParrinelloRahman_4Ranks_2RanksPerSim_s (152 ms)
 81: [ RUN      ] LF/ReplicaExchangeTest.Works/md_NoseHoover_Crescale_4Ranks_2RanksPerSim_s
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_2RanksPerSim_s_input.mdp]:
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_2RanksPerSim_s_input.mdp]:
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to
 81:   1
 81: 
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_2RanksPerSim_s_input.mdp]:
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_2RanksPerSim_s_input.mdp]:
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to
 81:   1
 81: 
 81: Generated 330891 of the 330891 non-bonded parameter combinations
-81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generating 1-4 interactions: fudge = 0.5
+81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generating 1-4 interactions: fudge = 0.5
 81: 
 81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
-81: Velocities were taken from a Maxwell distribution at 298 K
+81: Velocities were taken from a Maxwell distribution at 278 K
 81: 
 81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
-81: Velocities were taken from a Maxwell distribution at 278 K
+81: Velocities were taken from a Maxwell distribution at 298 K
 81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
+81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_2RanksPerSim_s_input.mdp]:
+81:   You are using a plain Coulomb cut-off, which might produce artifacts.
+81:   You might want to consider using PME electrostatics.
+81: 
+81: 
+81: 
+81: There were 3 NOTEs
+81: 
 81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 81: 
 81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
@@ -300514,14 +300407,6 @@
 81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
 81: This run will generate roughly 0 Mb of data
-81: 
-81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_2RanksPerSim_s_input.mdp]:
-81:   You are using a plain Coulomb cut-off, which might produce artifacts.
-81:   You might want to consider using PME electrostatics.
-81: 
-81: 
-81: 
-81: There were 3 NOTEs
 81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
 81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
@@ -300534,7 +300419,7 @@
 81: 
 81: This run will generate roughly 0 Mb of data
 81: 
-81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_2RanksPerSim_s_input.mdp]:
+81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   You are using a plain Coulomb cut-off, which might produce artifacts.
 81:   You might want to consider using PME electrostatics.
 81: 
@@ -300547,13 +300432,13 @@
 81: 
 81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
-81: This is simulation 0 out of 2 running as a composite GROMACS
+81: This is simulation 1 out of 2 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 2 MPI processes
 81: Using 1 OpenMP thread per MPI process
 81: 
-81: This is simulation 1 out of 2 running as a composite GROMACS
+81: This is simulation 0 out of 2 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 2 MPI processes
@@ -300581,28 +300466,28 @@
 81: 
 81: Dynamic load balancing report:
 81:  DLB was off during the run due to low measured imbalance.
-81:  Average load imbalance: 0.3%.
-81:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
-81:  Part of the total run time spent waiting due to load imbalance: 0.1%.
-81: 
-81: 
-81: NOTE: 13 % of the run time was spent in domain decomposition,
-81:       5 % of the run time was spent in pair search,
-81:       you might want to increase nstlist (this has no effect on accuracy)
+81:  Average load imbalance: 1.4%.
+81:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+81:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 81: 
-81: NOTE: 6 % of the run time was spent communicating energies,
-81:       you might want to increase some nst* mdp options
 81: 
 81: 
 81: Dynamic load balancing report:
 81:  DLB was off during the run due to low measured imbalance.
-81:  Average load imbalance: 1.3%.
-81:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
+81:  Average load imbalance: 1.2%.
+81:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
 81:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 81: 
 81: 
 81: NOTE: 13 % of the run time was spent in domain decomposition,
-81:       4 % of the run time was spent in pair search,
+81:       3 % of the run time was spent in pair search,
+81:       you might want to increase nstlist (this has no effect on accuracy)
+81: 
+81: NOTE: 6 % of the run time was spent communicating energies,
+81:       you might want to increase some nst* mdp options
+81: 
+81: NOTE: 13 % of the run time was spent in domain decomposition,
+81:       3 % of the run time was spent in pair search,
 81:       you might want to increase nstlist (this has no effect on accuracy)
 81: 
 81: NOTE: 6 % of the run time was spent communicating energies,
@@ -300611,21 +300496,21 @@
 81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 81: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_Crescale_4Ranks_2RanksPerSim_s.edr as single precision energy file
 81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
-81: [       OK ] LF/ReplicaExchangeTest.Works/md_NoseHoover_Crescale_4Ranks_2RanksPerSim_s (151 ms)
+81: [       OK ] LF/ReplicaExchangeTest.Works/md_NoseHoover_Crescale_4Ranks_2RanksPerSim_s (152 ms)
 81: [ RUN      ] LF/ReplicaExchangeTest.Works/md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to
 81:   1
 81: 
 81: 
-81: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
+81: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   You are generating velocities so I am assuming you are equilibrating a
 81:   system. You are using Parrinello-Rahman pressure coupling, but this can
 81:   be unstable for equilibration. If your system crashes, try equilibrating
@@ -300633,18 +300518,18 @@
 81:   system, you can probably ignore this warning.
 81: 
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to
 81:   1
 81: 
 81: 
-81: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
+81: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   You are generating velocities so I am assuming you are equilibrating a
 81:   system. You are using Parrinello-Rahman pressure coupling, but this can
 81:   be unstable for equilibration. If your system crashes, try equilibrating
@@ -300652,8 +300537,8 @@
 81:   system, you can probably ignore this warning.
 81: 
 81: Generated 330891 of the 330891 non-bonded parameter combinations
-81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generating 1-4 interactions: fudge = 0.5
+81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generating 1-4 interactions: fudge = 0.5
 81: 
 81: Generated 330891 of the 330891 1-4 parameter combinations
@@ -300671,15 +300556,15 @@
 81: 
 81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 81: 
-81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
+81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
+81:   You are using a plain Coulomb cut-off, which might produce artifacts.
+81:   You might want to consider using PME electrostatics.
 81: 
-81: Set rlist, assuming 4x4 atom pair-list, to 0.741 nm, buffer size 0.041 nm
 81: 
-81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
-81: This run will generate roughly 0 Mb of data
+81: There were 3 NOTEs
 81: 
-81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+81: There was 1 WARNING
 81: 
 81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
 81: 
@@ -300688,17 +300573,17 @@
 81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
 81: This run will generate roughly 0 Mb of data
+81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
-81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
-81:   You are using a plain Coulomb cut-off, which might produce artifacts.
-81:   You might want to consider using PME electrostatics.
+81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 81: 
+81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
 81: 
+81: Set rlist, assuming 4x4 atom pair-list, to 0.741 nm, buffer size 0.041 nm
 81: 
-81: There were 3 NOTEs
+81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
-81: There was 1 WARNING
-81: Number of degrees of freedom in T-Coupling group System is 27.00
+81: This run will generate roughly 0 Mb of data
 81: 
 81: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   You are using a plain Coulomb cut-off, which might produce artifacts.
@@ -300713,21 +300598,14 @@
 81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
+81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
+81: 
 81: This is simulation 1 out of 2 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 2 MPI processes
 81: Using 1 OpenMP thread per MPI process
 81: 
-81: 
-81: NOTE: The number of threads is not equal to the number of (logical) cpus
-81:       and the -pin option is set to auto: will not pin threads to cpus.
-81:       This can lead to significant performance degradation.
-81:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-81: starting mdrun 'spc2'
-81: 16 steps,      0.0 ps.
-81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
-81: 
 81: This is simulation 0 out of 2 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
@@ -300739,6 +300617,13 @@
 81:       and the -pin option is set to auto: will not pin threads to cpus.
 81:       This can lead to significant performance degradation.
 81:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
+81: 
+81: NOTE: The number of threads is not equal to the number of (logical) cpus
+81:       and the -pin option is set to auto: will not pin threads to cpus.
+81:       This can lead to significant performance degradation.
+81:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
+81: starting mdrun 'spc2'
+81: 16 steps,      0.0 ps.
 81: starting mdrun 'spc2'
 81: 16 steps,      0.0 ps.
 81: 
@@ -300749,16 +300634,16 @@
 81: 
 81: Dynamic load balancing report:
 81:  DLB was off during the run due to low measured imbalance.
-81:  Average load imbalance: 0.6%.
-81:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-81:  Part of the total run time spent waiting due to load imbalance: 0.3%.
+81:  Average load imbalance: 1.3%.
+81:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
+81:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 81: 
 81: 
 81: 
 81: Dynamic load balancing report:
 81:  DLB was off during the run due to low measured imbalance.
-81:  Average load imbalance: 0.9%.
-81:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+81:  Average load imbalance: 0.8%.
+81:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
 81:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 81: 
 81: 
@@ -300766,27 +300651,25 @@
 81:       4 % of the run time was spent in pair search,
 81:       you might want to increase nstlist (this has no effect on accuracy)
 81: 
-81: NOTE: 6 % of the run time was spent communicating energies,
+81: NOTE: 8 % of the run time was spent communicating energies,
 81:       you might want to increase some nst* mdp options
 81: 
 81: NOTE: 13 % of the run time was spent in domain decomposition,
-81:       4 % of the run time was spent in pair search,
+81:       3 % of the run time was spent in pair search,
 81:       you might want to increase nstlist (this has no effect on accuracy)
 81: 
-81: NOTE: 6 % of the run time was spent communicating energies,
+81: NOTE: 7 % of the run time was spent communicating energies,
 81:       you might want to increase some nst* mdp options
 81: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s.edr as single precision energy file
 81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 81: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/LF_ReplicaExchangeTest_Works_md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s.edr as single precision energy file
 81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
-81: [       OK ] LF/ReplicaExchangeTest.Works/md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s (152 ms)
-81: [----------] 8 tests from LF/ReplicaExchangeTest (1272 ms total)
+81: [       OK ] LF/ReplicaExchangeTest.Works/md_NoseHoover_ParrinelloRahman_4Ranks_2RanksPerSim_s (154 ms)
+81: [----------] 8 tests from LF/ReplicaExchangeTest (1321 ms total)
 81: 
 81: [----------] 2 tests from VV/ReplicaExchangeTest
 81: [ RUN      ] VV/ReplicaExchangeTest.Works/mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/VV_ReplicaExcha
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/VV_ReplicaExcha
 81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
@@ -300798,51 +300681,54 @@
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
-81: ngeTest_Works_mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s_input.mdp]:
+81: 
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
-81: ngeTest_Works_mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s_input.mdp]:
+81: 
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
 81: Generated 330891 of the 330891 non-bonded parameter combinations
-81: Generated 330891 of the 330891 non-bonded parameter combinations
-81: Generating 1-4 interactions: fudge = 0.5
 81: Generating 1-4 interactions: fudge = 0.5
 81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generating 1-4 interactions: fudge = 0.5
 81: Generating 1-4 interactions: fudge = 0.5
-81: 
-81: Generated 330891 of the 330891 1-4 parameter combinations
+81: Generated 330891 of the 330891 non-bonded parameter combinations
+81: Generating 1-4 interactions: fudge = 0.5
 81: 
 81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
-81: Excluding 2 bonded neighbours molecule type 'SOL'
-81: 
 81: Velocities were taken from a Maxwell distribution at 288 K
 81: 
 81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
-81: Velocities were taken from a Maxwell distribution at 298 K
-81: 
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
+81: Velocities were taken from a Maxwell distribution at 268 K
+81: 
 81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
+81: Excluding 2 bonded neighbours molecule type 'SOL'
+81: 
 81: Velocities were taken from a Maxwell distribution at 278 K
 81: 
+81: Generated 330891 of the 330891 1-4 parameter combinations
+81: 
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
-81: Velocities were taken from a Maxwell distribution at 268 K
-81: Number of degrees of freedom in T-Coupling group System is 27.00
+81: Velocities were taken from a Maxwell distribution at 298 K
 81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
+81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+81: 
 81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s_input.mdp]:
 81:   You are using a plain Coulomb cut-off, which might produce artifacts.
 81:   You might want to consider using PME electrostatics.
@@ -300851,13 +300737,13 @@
 81: 
 81: There were 2 NOTEs
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s_input.mdp]:
-81:   You are using a plain Coulomb cut-off, which might produce artifacts.
-81:   You might want to consider using PME electrostatics.
+81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
 81: 
+81: Set rlist, assuming 4x4 atom pair-list, to 0.741 nm, buffer size 0.041 nm
 81: 
+81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
-81: There were 2 NOTEs
+81: This run will generate roughly 0 Mb of data
 81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
 81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
@@ -300870,15 +300756,14 @@
 81: 
 81: This run will generate roughly 0 Mb of data
 81: 
-81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
-81: 
-81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s_input.mdp]:
+81:   You are using a plain Coulomb cut-off, which might produce artifacts.
+81:   You might want to consider using PME electrostatics.
 81: 
-81: Set rlist, assuming 4x4 atom pair-list, to 0.741 nm, buffer size 0.041 nm
 81: 
-81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
-81: This run will generate roughly 0 Mb of data
+81: There were 2 NOTEs
+81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
 81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 81: 
@@ -300899,14 +300784,6 @@
 81: There were 2 NOTEs
 81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s_input.mdp]:
-81:   You are using a plain Coulomb cut-off, which might produce artifacts.
-81:   You might want to consider using PME electrostatics.
-81: 
-81: 
-81: 
-81: There were 2 NOTEs
-81: 
 81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 81: 
 81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
@@ -300916,22 +300793,29 @@
 81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
 81: This run will generate roughly 0 Mb of data
-81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+81: 
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s_input.mdp]:
+81:   You are using a plain Coulomb cut-off, which might produce artifacts.
+81:   You might want to consider using PME electrostatics.
+81: 
+81: 
+81: 
+81: There were 2 NOTEs
 81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_2/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
 81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
-81: This is simulation 0 out of 4 running as a composite GROMACS
+81: This is simulation 3 out of 4 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 1 MPI process
-81: Using 1 OpenMP thread 
 81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
-81: This is simulation 2 out of 4 running as a composite GROMACS
+81: This is simulation 1 out of 4 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 1 MPI process
@@ -300939,19 +300823,19 @@
 81: 
 81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
-81: This is simulation 3 out of 4 running as a composite GROMACS
+81: This is simulation 0 out of 4 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 1 MPI process
 81: Using 1 OpenMP thread 
 81: 
-81: This is simulation 1 out of 4 running as a composite GROMACS
+81: This is simulation 2 out of 4 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 1 MPI process
 81: Using 1 OpenMP thread 
 81: 
-81: 
+81: Using 1 OpenMP thread 
 81: 
 81: 
 81: NOTE: The number of threads is not equal to the number of (logical) cpus
@@ -300968,26 +300852,27 @@
 81:       and the -pin option is set to auto: will not pin threads to cpus.
 81:       This can lead to significant performance degradation.
 81:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
+81: 
 81: NOTE: The number of threads is not equal to the number of (logical) cpus
 81:       and the -pin option is set to auto: will not pin threads to cpus.
 81:       This can lead to significant performance degradation.
 81:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 81: starting mdrun 'spc2'
 81: 16 steps,      0.0 ps.
-81: 
-81: Writing final coordinates.
 81: starting mdrun 'spc2'
 81: 16 steps,      0.0 ps.
-81: 
-81: Writing final coordinates.
 81: starting mdrun 'spc2'
 81: 16 steps,      0.0 ps.
-81: 
-81: Writing final coordinates.
 81: starting mdrun 'spc2'
 81: 16 steps,      0.0 ps.
 81: 
 81: Writing final coordinates.
+81: 
+81: Writing final coordinates.
+81: 
+81: Writing final coordinates.
+81: 
+81: Writing final coordinates.
 81: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s.edr as single precision energy file
 81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 81: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s.edr as single precision energy file
@@ -300996,47 +300881,48 @@
 81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 81: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_3/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s.edr as single precision energy file
 81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
-81: [       OK ] VV/ReplicaExchangeTest.Works/mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s (161 ms)
+81: [       OK ] VV/ReplicaExchangeTest.Works/mdvv_NoseHoover_No_4Ranks_1RanksPerSim_s (165 ms)
 81: [ RUN      ] VV/ReplicaExchangeTest.Works/mdvv_NoseHoover_No_4Ranks_2RanksPerSim_s
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_2RanksPerSim_s_input.mdp]:
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
 81: 
-81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_2RanksPerSim_s_input.mdp]:
+81: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   You have set rlist larger than the interaction cut-off, but you also have
 81:   verlet-buffer-tolerance > 0. Will set rlist using
 81:   verlet-buffer-tolerance.
 81: 
 81: Generated 330891 of the 330891 non-bonded parameter combinations
-81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generating 1-4 interactions: fudge = 0.5
+81: Generated 330891 of the 330891 non-bonded parameter combinations
 81: Generating 1-4 interactions: fudge = 0.5
 81: 
 81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
-81: Excluding 2 bonded neighbours molecule type 'SOL'
-81: 
-81: Velocities were taken from a Maxwell distribution at 298 K
-81: 
 81: Generated 330891 of the 330891 1-4 parameter combinations
 81: 
 81: Excluding 2 bonded neighbours molecule type 'SOL'
 81: 
+81: Excluding 2 bonded neighbours molecule type 'SOL'
+81: 
 81: Velocities were taken from a Maxwell distribution at 278 K
+81: 
+81: Velocities were taken from a Maxwell distribution at 298 K
 81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
 81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
+81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
-81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
+81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_2RanksPerSim_s_input.mdp]:
+81:   You are using a plain Coulomb cut-off, which might produce artifacts.
+81:   You might want to consider using PME electrostatics.
 81: 
-81: Set rlist, assuming 4x4 atom pair-list, to 0.741 nm, buffer size 0.041 nm
 81: 
-81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
-81: This run will generate roughly 0 Mb of data
+81: There were 2 NOTEs
 81: 
 81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_2RanksPerSim_s_input.mdp]:
 81:   You are using a plain Coulomb cut-off, which might produce artifacts.
@@ -301045,15 +300931,14 @@
 81: 
 81: 
 81: There were 2 NOTEs
-81: Number of degrees of freedom in T-Coupling group System is 27.00
 81: 
-81: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_2RanksPerSim_s_input.mdp]:
-81:   You are using a plain Coulomb cut-off, which might produce artifacts.
-81:   You might want to consider using PME electrostatics.
+81: Calculated rlist for 1x1 atom pair-list as 0.750 nm, buffer size 0.050 nm
 81: 
+81: Set rlist, assuming 4x4 atom pair-list, to 0.741 nm, buffer size 0.041 nm
 81: 
+81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
-81: There were 2 NOTEs
+81: This run will generate roughly 0 Mb of data
 81: 
 81: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 81: 
@@ -301064,19 +300949,19 @@
 81: Note that mdrun will redetermine rlist based on the actual pair-list setup
 81: 
 81: This run will generate roughly 0 Mb of data
-81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/VV_ReplicaExchanReading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_2RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-81: geTest_Works_mdvv_NoseHoover_No_4Ranks_2RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_2RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+81: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_2RanksPerSim_s.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
 81: Changing nstlist from 10 to 25, rlist from 0.741 to 0.823
 81: 
-81: This is simulation 0 out of 2 running as a composite GROMACS
+81: This is simulation 1 out of 2 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 2 MPI processes
 81: Using 1 OpenMP thread per MPI process
 81: 
-81: This is simulation 1 out of 2 running as a composite GROMACS
+81: This is simulation 0 out of 2 running as a composite GROMACS
 81: multi-simulation job. Setup for this simulation:
 81: 
 81: Using 2 MPI processes
@@ -301087,8 +300972,6 @@
 81:       and the -pin option is set to auto: will not pin threads to cpus.
 81:       This can lead to significant performance degradation.
 81:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-81: starting mdrun 'spc2'
-81: 16 steps,      0.0 ps.
 81: 
 81: NOTE: The number of threads is not equal to the number of (logical) cpus
 81:       and the -pin option is set to auto: will not pin threads to cpus.
@@ -301096,51 +300979,53 @@
 81:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 81: starting mdrun 'spc2'
 81: 16 steps,      0.0 ps.
+81: starting mdrun 'spc2'
+81: 16 steps,      0.0 ps.
+81: 
+81: Writing final coordinates.
 81: 
 81: Writing final coordinates.
 81: 
 81: 
 81: Dynamic load balancing report:
 81:  DLB was off during the run due to low measured imbalance.
-81:  Average load imbalance: 1.6%.
-81:  The balanceable part of the MD step is 30%, load imbalance is computed from this.
-81:  Part of the total run time spent waiting due to load imbalance: 0.5%.
+81:  Average load imbalance: 1.1%.
+81:  The balanceable part of the MD step is 38%, load imbalance is computed from this.
+81:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 81: 
 81: 
 81: NOTE: 11 % of the run time was spent in domain decomposition,
 81:       3 % of the run time was spent in pair search,
 81:       you might want to increase nstlist (this has no effect on accuracy)
 81: 
-81: NOTE: 8 % of the run time was spent communicating energies,
-81:       you might want to increase some nst* mdp options
-81: 
-81: Writing final coordinates.
-81: 
 81: 
 81: Dynamic load balancing report:
 81:  DLB was off during the run due to low measured imbalance.
-81:  Average load imbalance: 0.4%.
-81:  The balanceable part of the MD step is 30%, load imbalance is computed from this.
-81:  Part of the total run time spent waiting due to load imbalance: 0.1%.
+81:  Average load imbalance: 1.0%.
+81:  The balanceable part of the MD step is 37%, load imbalance is computed from this.
+81:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 81: 
 81: 
-81: NOTE: 11 % of the run time was spent in domain decomposition,
+81: NOTE: 12 % of the run time was spent in domain decomposition,
 81:       3 % of the run time was spent in pair search,
 81:       you might want to increase nstlist (this has no effect on accuracy)
 81: 
-81: NOTE: 7 % of the run time was spent communicating energies,
+81: NOTE: 8 % of the run time was spent communicating energies,
+81:       you might want to increase some nst* mdp options
+81: 
+81: NOTE: 8 % of the run time was spent communicating energies,
 81:       you might want to increase some nst* mdp options
 81: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_0/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_2RanksPerSim_s.edr as single precision energy file
 81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 81: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/sim_1/VV_ReplicaExchangeTest_Works_mdvv_NoseHoover_No_4Ranks_2RanksPerSim_s.edr as single precision energy file
-81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         [       OK ] VV/ReplicaExchangeTest.Works/mdvv_NoseHoover_No_4Ranks_2RanksPerSim_s (152 ms)
-81: [----------] 2 tests from VV/ReplicaExchangeTest (315 ms total)
+81: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+81: [       OK ] VV/ReplicaExchangeTest.Works/mdvv_NoseHoover_No_4Ranks_2RanksPerSim_s (153 ms)
+81: [----------] 2 tests from VV/ReplicaExchangeTest (319 ms total)
 81: 
-81: 
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 81: [----------] Global test environment tear-down
-81: [==========] 10 tests from 2 test suites ran. (1604 ms total)
+81: [==========] 10 tests from 2 test suites ran. (1663 ms total)
 81: [  PASSED  ] 10 tests.
-81/96 Test #81: MdrunMultiSimReplexEquivalenceTests ..........   Passed    1.76 sec
+81/96 Test #81: MdrunMultiSimReplexEquivalenceTests ..........   Passed    1.86 sec
 test 82
       Start 82: MdrunMpi1RankPmeTests
 
@@ -301150,7 +301035,7 @@
 82: [==========] Running 19 tests from 1 test suite.
 82: [----------] Global test environment set-up.
 82: [----------] 19 tests from ReproducesEnergies/PmeTest
-82: Setting the LD random seed to 2146826238
+82: Setting the LD random seed to -1073824809
 82: 
 82: Generated 8 of the 10 non-bonded parameter combinations
 82: 
@@ -301196,7 +301081,7 @@
 82:   For a correct single-point energy evaluation with nsteps = 0, use
 82:   continuation = yes to avoid constraining the input coordinates.
 82: 
-82: Setting the LD random seed to -1948787201
+82: Setting the LD random seed to 1609825212
 82: 
 82: Generated 8 of the 10 non-bonded parameter combinations
 82: 
@@ -301255,12 +301140,16 @@
 82: 
 82: Writing final coordinates.
 82: 
+82: NOTE: 26 % of the run time was spent in domain decomposition,
+82:       9 % of the run time was spent in pair search,
+82:       you might want to increase nstlist (this has no effect on accuracy)
+82: 
 82:                Core t (s)   Wall t (s)        (%)
-82:        Time:        0.025        0.013      199.4
+82:        Time:        0.046        0.023      199.4
 82:                  (ns/day)    (hour/ns)
-82: Performance:      144.274        0.166
+82: Performance:       78.245        0.307
 82: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__notunepme__npme_0__pme_cpu.edr as single precision energy file
-82: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_cpu (9855 ms)
+82: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_cpu (9701 ms)
 82: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_auto
 82: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_basic.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 82: Can not increase nstlist because an NVE ensemble is used
@@ -301278,11 +301167,11 @@
 82: Writing final coordinates.
 82: 
 82:                Core t (s)   Wall t (s)        (%)
-82:        Time:        0.022        0.011      199.3
+82:        Time:        0.024        0.012      199.1
 82:                  (ns/day)    (hour/ns)
-82: Performance:      161.746        0.148
+82: Performance:      149.207        0.161
 82: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__notunepme__npme_0__pme_auto.edr as single precision energy file
-82: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_auto (16 ms)
+82: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_auto (19 ms)
 82: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_gpu__pmefft_cpu
 82: ./src/programs/mdrun/tests/pmetest.cpp:309: Skipped
 82: Test is being skipped because:
@@ -301322,11 +301211,11 @@
 82: 0 steps,      0.0 ps.
 82: 
 82:                Core t (s)   Wall t (s)        (%)
-82:        Time:        0.006        0.003      195.9
+82:        Time:        0.006        0.003      193.0
 82:                  (ns/day)    (hour/ns)
-82: Performance:       29.982        0.800
+82: Performance:       28.611        0.839
 82: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_with_walls__notunepme__npme_0__pme_cpu.edr as single precision energy file
-82: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_cpu (30193 ms)
+82: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_cpu (29879 ms)
 82: [ RUN      ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_gpu__pmefft_cpu
 82: ./src/programs/mdrun/tests/pmetest.cpp:309: Skipped
 82: Test is being skipped because:
@@ -301423,11 +301312,11 @@
 82: Writing final coordinates.
 82: 
 82:                Core t (s)   Wall t (s)        (%)
-82:        Time:        0.029        0.014      199.5
+82:        Time:        0.031        0.016      199.1
 82:                  (ns/day)    (hour/ns)
-82: Performance:      126.276        0.190
+82: Performance:      115.092        0.209
 82: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__tunepme__npme_0__pme_cpu.edr as single precision energy file
-82: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_cpu (20 ms)
+82: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_cpu (25 ms)
 82: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_cpu
 82: ./src/programs/mdrun/tests/pmetest.cpp:309: Skipped
 82: Test is being skipped because:
@@ -301444,10 +301333,10 @@
 82:     Non-GPU build of GROMACS.
 82: 
 82: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_gpu (0 ms)
-82: [----------] 19 tests from ReproducesEnergies/PmeTest (40085 ms total)
+82: [----------] 19 tests from ReproducesEnergies/PmeTest (39628 ms total)
 82: 
 82: [----------] Global test environment tear-down
-82: [==========] 19 tests from 1 test suite ran. (40107 ms total)
+82: [==========] 19 tests from 1 test suite ran. (39639 ms total)
 82: [  PASSED  ] 4 tests.
 82: [  SKIPPED ] 15 tests, listed below:
 82: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_gpu__pmefft_cpu
@@ -301465,7 +301354,7 @@
 82: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_1__pme_gpu__pmefft_gpu
 82: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_cpu
 82: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_gpu
-82/96 Test #82: MdrunMpi1RankPmeTests ........................   Passed   40.29 sec
+82/96 Test #82: MdrunMpi1RankPmeTests ........................   Passed   39.81 sec
 test 83
       Start 83: MdrunMpi2RankPmeTests
 
@@ -301475,7 +301364,7 @@
 83: [==========] Running 19 tests from 1 test suite.
 83: [----------] Global test environment set-up.
 83: [----------] 19 tests from ReproducesEnergies/PmeTest
-83: Setting the LD random seed to -296005
+83: Setting the LD random seed to -119541401
 83: 
 83: Generated 8 of the 10 non-bonded parameter combinations
 83: 
@@ -301487,13 +301376,13 @@
 83: Number of degrees of freedom in T-Coupling group rest is 12.00
 83: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
 83: 
+83: The largest distance between excluded atoms is 0.190 nm between atom 1 and 3
+83: 
 83: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_input.mdp]:
 83:   NVE simulation: will use the initial temperature of 1046.791 K for
 83:   determining the Verlet buffer size
 83: 
 83: 
-83: The largest distance between excluded atoms is 0.190 nm between atom 1 and 3
-83: 
 83: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 1046.79 K
 83: 
 83: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm
@@ -301521,7 +301410,7 @@
 83:   For a correct single-point energy evaluation with nsteps = 0, use
 83:   continuation = yes to avoid constraining the input coordinates.
 83: 
-83: Setting the LD random seed to -872440861
+83: Setting the LD random seed to -4198593
 83: 
 83: Generated 8 of the 10 non-bonded parameter combinations
 83: 
@@ -301535,15 +301424,15 @@
 83: Number of degrees of freedom in T-Coupling group rest is 13.00
 83: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
 83: 
+83: The largest distance between excluded atoms is 0.190 nm between atom 1 and 3
+83: 
+83: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 966.268 K
+83: 
 83: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_input.mdp]:
 83:   NVE simulation: will use the initial temperature of 966.268 K for
 83:   determining the Verlet buffer size
 83: 
 83: 
-83: The largest distance between excluded atoms is 0.190 nm between atom 1 and 3
-83: 
-83: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 966.268 K
-83: 
 83: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm
 83: 
 83: Set rlist, assuming 4x4 atom pair-list, to 1.000 nm, buffer size 0.000 nm
@@ -301583,20 +301472,20 @@
 83: 
 83: Dynamic load balancing report:
 83:  DLB was off during the run due to low measured imbalance.
-83:  Average load imbalance: 1.5%.
+83:  Average load imbalance: 2.9%.
 83:  The balanceable part of the MD step is 7%, load imbalance is computed from this.
-83:  Part of the total run time spent waiting due to load imbalance: 0.1%.
+83:  Part of the total run time spent waiting due to load imbalance: 0.2%.
 83: 
 83: 
 83: NOTE: 7 % of the run time was spent communicating energies,
 83:       you might want to increase some nst* mdp options
 83: 
 83:                Core t (s)   Wall t (s)        (%)
-83:        Time:        0.044        0.011      398.3
+83:        Time:        0.043        0.011      398.2
 83:                  (ns/day)    (hour/ns)
-83: Performance:      165.813        0.145
+83: Performance:      168.659        0.142
 83: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__notunepme__npme_0__pme_cpu.edr as single precision energy file
-83: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_cpu (9643 ms)
+83: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_cpu (9648 ms)
 83: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_auto
 83: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_basic.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 83: Can not increase nstlist because an NVE ensemble is used
@@ -301616,17 +301505,17 @@
 83: 
 83: Dynamic load balancing report:
 83:  DLB was off during the run due to low measured imbalance.
-83:  Average load imbalance: 2.7%.
-83:  The balanceable part of the MD step is 6%, load imbalance is computed from this.
-83:  Part of the total run time spent waiting due to load imbalance: 0.2%.
+83:  Average load imbalance: 3.8%.
+83:  The balanceable part of the MD step is 7%, load imbalance is computed from this.
+83:  Part of the total run time spent waiting due to load imbalance: 0.3%.
 83: 
 83: 
 83:                Core t (s)   Wall t (s)        (%)
-83:        Time:        0.047        0.012      398.5
+83:        Time:        0.040        0.010      398.3
 83:                  (ns/day)    (hour/ns)
-83: Performance:      154.547        0.155
+83: Performance:      179.747        0.134
 83: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__notunepme__npme_0__pme_auto.edr as single precision energy file
-83: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_auto (17 ms)
+83: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_auto (15 ms)
 83: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_gpu__pmefft_cpu
 83: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_gpu__pmefft_cpu (0 ms)
 83: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_gpu__pmefft_gpu
@@ -301648,11 +301537,11 @@
 83: 0 steps,      0.0 ps.
 83: 
 83:                Core t (s)   Wall t (s)        (%)
-83:        Time:        0.007        0.002      384.7
+83:        Time:        0.008        0.002      383.6
 83:                  (ns/day)    (hour/ns)
-83: Performance:       44.503        0.539
+83: Performance:       43.580        0.551
 83: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_with_walls__notunepme__npme_0__pme_cpu.edr as single precision energy file
-83: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_cpu (29867 ms)
+83: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_cpu (32747 ms)
 83: [ RUN      ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_gpu__pmefft_cpu
 83: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_gpu__pmefft_cpu (0 ms)
 83: [ RUN      ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_0__pme_gpu__pmefft_gpu
@@ -301674,11 +301563,11 @@
 83: Writing final coordinates.
 83: 
 83:                Core t (s)   Wall t (s)        (%)
-83:        Time:        0.053        0.013      395.3
+83:        Time:        0.034        0.009      393.3
 83:                  (ns/day)    (hour/ns)
-83: Performance:      134.407        0.179
+83: Performance:      210.720        0.114
 83: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__notunepme__npme_1__pme_cpu.edr as single precision energy file
-83: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_1__pme_cpu (5113 ms)
+83: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_1__pme_cpu (5087 ms)
 83: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_1__pme_auto
 83: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_basic.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 83: Can not increase nstlist because an NVE ensemble is used
@@ -301696,11 +301585,11 @@
 83: Writing final coordinates.
 83: 
 83:                Core t (s)   Wall t (s)        (%)
-83:        Time:        0.059        0.015      394.8
+83:        Time:        0.030        0.008      392.2
 83:                  (ns/day)    (hour/ns)
-83: Performance:      120.890        0.199
+83: Performance:      238.626        0.101
 83: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__notunepme__npme_1__pme_auto.edr as single precision energy file
-83: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_1__pme_auto (29 ms)
+83: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_1__pme_auto (12 ms)
 83: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_1__pme_gpu__pmefft_cpu
 83: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_1__pme_gpu__pmefft_cpu (0 ms)
 83: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_1__pme_gpu__pmefft_gpu
@@ -301722,11 +301611,11 @@
 83: 0 steps,      0.0 ps.
 83: 
 83:                Core t (s)   Wall t (s)        (%)
-83:        Time:        0.012        0.003      357.7
+83:        Time:        0.024        0.006      375.7
 83:                  (ns/day)    (hour/ns)
-83: Performance:       25.527        0.940
+83: Performance:       13.613        1.763
 83: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_with_walls__notunepme__npme_1__pme_cpu.edr as single precision energy file
-83: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_1__pme_cpu (19108 ms)
+83: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         [       OK ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_1__pme_cpu (23626 ms)
 83: [ RUN      ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_1__pme_gpu__pmefft_cpu
 83: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_1__pme_gpu__pmefft_cpu (0 ms)
 83: [ RUN      ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_1__pme_gpu__pmefft_gpu
@@ -301749,26 +301638,27 @@
 83: 
 83: 
 83: Dynamic load balancing report:
-83:  DLB was off during the run due to low measured imbalance.
-83:  Average load imbalance: 2.3%.
-83:  The balanceable part of the MD step is 7%, load imbalance is computed from this.
-83:  Part of the total run time spent waiting due to load imbalance: 0.2%.
+83:  DLB was turned on during the run due to measured imbalance.
+83:  Average load imbalance: 9.4%.
+83:  The balanceable part of the MD step is 33%, load imbalance is computed from this.
+83:  Part of the total run time spent waiting due to load imbalance: 3.1%.
+83:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 83: 
 83: 
 83:                Core t (s)   Wall t (s)        (%)
-83:        Time:        0.040        0.010      398.1
+83:        Time:        1.020        0.255      399.9
 83:                  (ns/day)    (hour/ns)
-83: Performance:      181.659        0.132
+83: Performance:        7.114        3.374
 83: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ReproducesEnergies_PmeTest_Runs_basic__tunepme__npme_0__pme_cpu.edr as single precision energy file
-83: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_cpu (15 ms)
+83: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_cpu (276 ms)
 83: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_cpu
 83: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_cpu (0 ms)
 83: [ RUN      ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_gpu
 83: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_gpu (0 ms)
-83: [----------] 19 tests from ReproducesEnergies/PmeTest (63797 ms total)
+83: [----------] 19 tests from ReproducesEnergies/PmeTest (71416 ms total)
 83: 
 83: [----------] Global test environment tear-down
-83: [==========] 19 tests from 1 test suite ran. (63823 ms total)
+83: [==========] 19 tests from 1 test suite ran. (71442 ms total)
 83: [  PASSED  ] 7 tests.
 83: [  SKIPPED ] 12 tests, listed below:
 83: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__notunepme__npme_0__pme_gpu__pmefft_cpu
@@ -301783,7 +301673,7 @@
 83: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/with_walls__notunepme__npme_1__pme_gpu__pmefft_gpu
 83: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_cpu
 83: [  SKIPPED ] ReproducesEnergies/PmeTest.Runs/basic__tunepme__npme_0__pme_gpu__pmefft_gpu
-83/96 Test #83: MdrunMpi2RankPmeTests ........................   Passed   64.02 sec
+83/96 Test #83: MdrunMpi2RankPmeTests ........................   Passed   71.62 sec
 test 84
       Start 84: MdrunCoordinationBasicTests1Rank
 
@@ -301794,6 +301684,11 @@
 84: [----------] Global test environment set-up.
 84: [----------] 1 test from BasicPropagators/PeriodicActionsTest
 84: [ RUN      ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0
+84: Generated 1 of the 1 non-bonded parameter combinations
+84: 
+84: Excluding 1 bonded neighbours molecule type 'Argon'
+84: 
+84: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -301804,9 +301699,6 @@
 84: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 84:   Setting nstcalcenergy (100) equal to nstenergy (1)
 84: 
-84: Generated 1 of the 1 non-bonded parameter combinations
-84: 
-84: Excluding 1 bonded neighbours molecule type 'Argon'
 84: Number of degrees of freedom in T-Coupling group System is 33.00
 84: 
 84: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
@@ -301814,7 +301706,14 @@
 84:   determining the Verlet buffer size
 84: 
 84: 
-84: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+84: There were 3 NOTEs
+84: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+84: Can not increase nstlist because an NVE ensemble is used
+84: Using 1 MPI process
+84: Using 1 OpenMP thread 
+84: 
+84: 
+84: NOTE: Thread affinity was not set.
 84: 
 84: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 84: 
@@ -301825,24 +301724,15 @@
 84: Note that mdrun will redetermine rlist based on the actual pair-list setup
 84: 
 84: This run will generate roughly 0 Mb of data
-84: 
-84: There were 3 NOTEs
-84: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-84: Can not increase nstlist because an NVE ensemble is used
-84: Using 1 MPI process
-84: Using 1 OpenMP thread 
-84: 
-84: 
-84: NOTE: Thread affinity was not set.
 84: starting mdrun 'Argon'
 84: 16 steps,      0.0 ps.
 84: 
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.003        0.003       98.4
+84:        Time:        0.002        0.002       98.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:      431.656        0.056
+84: Performance:      743.674        0.032
 84: 
 84: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 84:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -301889,9 +301779,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.8
+84:        Time:        0.001        0.001       97.3
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1406.528        0.017
+84: Performance:     1063.455        0.023
 84: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -301914,10 +301804,6 @@
 84: Excluding 1 bonded neighbours molecule type 'Argon'
 84: 
 84: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-84: 
-84: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
-84: 
-84: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 84: Number of degrees of freedom in T-Coupling group System is 33.00
 84: 
 84: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
@@ -301925,6 +301811,10 @@
 84:   determining the Verlet buffer size
 84: 
 84: 
+84: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
+84: 
+84: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+84: 
 84: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 84: 
 84: Note that mdrun will redetermine rlist based on the actual pair-list setup
@@ -301953,9 +301843,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       96.0
+84:        Time:        0.001        0.001       95.5
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1523.391        0.016
+84: Performance:     1905.535        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 84: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -301974,13 +301864,13 @@
 84: Excluding 1 bonded neighbours molecule type 'Argon'
 84: 
 84: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+84: 
 84: Number of degrees of freedom in T-Coupling group System is 33.00
 84: 
 84: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 84:   NVE simulation: will use the initial temperature of 68.810 K for
 84:   determining the Verlet buffer size
 84: 
-84: 
 84: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 84: 
 84: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -302013,9 +301903,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       94.9
+84:        Time:        0.001        0.001       95.1
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1800.817        0.013
+84: Performance:     2298.729        0.010
 84: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 84: 
@@ -302034,6 +301924,12 @@
 84: Excluding 1 bonded neighbours molecule type 'Argon'
 84: 
 84: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+84: Number of degrees of freedom in T-Coupling group System is 33.00
+84: 
+84: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
+84:   NVE simulation: will use the initial temperature of 68.810 K for
+84:   determining the Verlet buffer size
+84: 
 84: 
 84: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 84: 
@@ -302043,14 +301939,6 @@
 84: 
 84: Note that mdrun will redetermine rlist based on the actual pair-list setup
 84: 
-84: This run will generate roughly 0 Mb of data
-84: Number of degrees of freedom in T-Coupling group System is 33.00
-84: 
-84: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
-84:   NVE simulation: will use the initial temperature of 68.810 K for
-84:   determining the Verlet buffer size
-84: 
-84: 
 84: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 84:   COM removal frequency is set to (1).
 84:   Other settings require a global communication frequency of 100.
@@ -302060,6 +301948,8 @@
 84: 
 84: 
 84: There were 4 NOTEs
+84: 
+84: This run will generate roughly 0 Mb of data
 84: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 84: Can not increase nstlist because an NVE ensemble is used
 84: Using 1 MPI process
@@ -302073,9 +301963,9 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       95.1
+84:        Time:        0.001        0.001       95.8
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1961.348        0.012
+84: Performance:     1815.143        0.013
 84: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 84: 
@@ -302089,11 +301979,6 @@
 84:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 84:   setting nstcomm equal to nstcalcenergy for less overhead
 84: 
-84: Generated 1 of the 1 non-bonded parameter combinations
-84: 
-84: Excluding 1 bonded neighbours molecule type 'Argon'
-84: 
-84: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 84: Number of degrees of freedom in T-Coupling group System is 33.00
 84: 
 84: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
@@ -302101,16 +301986,6 @@
 84:   determining the Verlet buffer size
 84: 
 84: 
-84: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
-84: 
-84: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-84: 
-84: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-84: 
-84: Note that mdrun will redetermine rlist based on the actual pair-list setup
-84: 
-84: This run will generate roughly 0 Mb of data
-84: 
 84: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 84:   COM removal frequency is set to (1).
 84:   Other settings require a global communication frequency of 100.
@@ -302120,6 +301995,21 @@
 84: 
 84: 
 84: There were 4 NOTEs
+84: Generated 1 of the 1 non-bonded parameter combinations
+84: 
+84: Excluding 1 bonded neighbours molecule type 'Argon'
+84: 
+84: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+84: 
+84: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
+84: 
+84: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+84: 
+84: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+84: 
+84: Note that mdrun will redetermine rlist based on the actual pair-list setup
+84: 
+84: This run will generate roughly 0 Mb of data
 84: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 84: Can not increase nstlist because an NVE ensemble is used
 84: Using 1 MPI process
@@ -302133,18 +302023,18 @@
 84: Writing final coordinates.
 84: 
 84:                Core t (s)   Wall t (s)        (%)
-84:        Time:        0.001        0.001       89.4
+84:        Time:        0.001        0.001       95.4
 84:                  (ns/day)    (hour/ns)
-84: Performance:     1874.230        0.013
+84: Performance:     2278.326        0.011
 84: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 84: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-84: [       OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (47 ms)
-84: [----------] 1 test from BasicPropagators/PeriodicActionsTest (47 ms total)
+84: [       OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (39 ms)
+84: [----------] 1 test from BasicPropagators/PeriodicActionsTest (39 ms total)
 84: 
 84: [----------] Global test environment tear-down
-84: [==========] 1 test from 1 test suite ran. (57 ms total)
+84: [==========] 1 test from 1 test suite ran. (46 ms total)
 84: [  PASSED  ] 1 test.
-84/96 Test #84: MdrunCoordinationBasicTests1Rank .............   Passed    0.25 sec
+84/96 Test #84: MdrunCoordinationBasicTests1Rank .............   Passed    0.21 sec
 test 85
       Start 85: MdrunCoordinationBasicTests2Ranks
 
@@ -302166,10 +302056,6 @@
 85:   Setting nstcalcenergy (100) equal to nstenergy (1)
 85: 
 85: Generated 1 of the 1 non-bonded parameter combinations
-85: 
-85: Excluding 1 bonded neighbours molecule type 'Argon'
-85: 
-85: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 85: Number of degrees of freedom in T-Coupling group System is 33.00
 85: 
 85: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
@@ -302177,6 +302063,14 @@
 85:   determining the Verlet buffer size
 85: 
 85: 
+85: There were 3 NOTEs
+85: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+85: Can not increase nstlist because an NVE ensemble is used
+85: 
+85: Excluding 1 bonded neighbours molecule type 'Argon'
+85: 
+85: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+85: 
 85: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 85: 
 85: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -302186,10 +302080,6 @@
 85: Note that mdrun will redetermine rlist based on the actual pair-list setup
 85: 
 85: This run will generate roughly 0 Mb of data
-85: 
-85: There were 3 NOTEs
-85: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-85: Can not increase nstlist because an NVE ensemble is used
 85: Using 2 MPI processes
 85: Using 1 OpenMP thread per MPI process
 85: 
@@ -302205,20 +302095,19 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was turned on during the run due to measured imbalance.
-85:  Average load imbalance: 5.1%.
-85:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 2.4%.
-85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+85:  DLB was off during the run due to low measured imbalance.
+85:  Average load imbalance: 2.1%.
+85:  The balanceable part of the MD step is 56%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 1.2%.
 85: 
 85: 
-85: NOTE: 36 % of the run time was spent communicating energies,
+85: NOTE: 37 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.008        0.004      196.4
+85:        Time:        0.008        0.004      196.1
 85:                  (ns/day)    (hour/ns)
-85: Performance:      370.495        0.065
+85: Performance:      344.745        0.070
 85: 
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -302234,12 +302123,6 @@
 85: Excluding 1 bonded neighbours molecule type 'Argon'
 85: 
 85: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-85: Number of degrees of freedom in T-Coupling group System is 33.00
-85: 
-85: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
-85:   NVE simulation: will use the initial temperature of 68.810 K for
-85:   determining the Verlet buffer size
-85: 
 85: 
 85: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 85: 
@@ -302249,9 +302132,15 @@
 85: 
 85: Note that mdrun will redetermine rlist based on the actual pair-list setup
 85: 
-85: There were 3 NOTEs
-85: 
 85: This run will generate roughly 0 Mb of data
+85: Number of degrees of freedom in T-Coupling group System is 33.00
+85: 
+85: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
+85:   NVE simulation: will use the initial temperature of 68.810 K for
+85:   determining the Verlet buffer size
+85: 
+85: 
+85: There were 3 NOTEs
 85: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 85: Can not increase nstlist because an NVE ensemble is used
 85: Using 2 MPI processes
@@ -302270,27 +302159,23 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 3.2%.
-85:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 1.7%.
+85:  Average load imbalance: 1.2%.
+85:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 85: 
 85: 
-85: NOTE: 10 % of the run time was spent in domain decomposition,
-85:       4 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
-85: 
-85: NOTE: 26 % of the run time was spent communicating energies,
+85: NOTE: 28 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      192.0
+85:        Time:        0.003        0.002      191.5
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1010.513        0.024
-85: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
+85: Performance:      909.783        0.026
 85: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-85: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
+85: 
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
+85: 
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      0 time    0.000         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      0 time    0.000         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      2 time    0.002         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame      2 time    0.002         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame      5 time    0.005         
Reading energy frame     13 time    0.013         
Reading energy frame      5 time    0.005         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 85:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -302353,30 +302238,28 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was turned on during the run due to measured imbalance.
-85:  Average load imbalance: 10.6%.
-85:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 5.4%.
-85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+85:  DLB was off during the run due to low measured imbalance.
+85:  Average load imbalance: 2.0%.
+85:  The balanceable part of the MD step is 27%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 85: 
-85: NOTE: 5.4 % of the available CPU time was lost due to load imbalance
-85:       in the domain decomposition.
-85:       You can consider manually changing the decomposition (option -dd);
-85:       e.g. by using fewer domains along the box dimension in which there is
-85:       considerable inhomogeneity in the simulated system.
 85: 
-85: NOTE: 26 % of the run time was spent communicating energies,
+85: NOTE: 8 % of the run time was spent in domain decomposition,
+85:       12 % of the run time was spent in pair search,
+85:       you might want to increase nstlist (this has no effect on accuracy)
+85: 
+85: NOTE: 43 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.003        0.001      192.0
+85:        Time:        0.004        0.002      194.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1124.812        0.021
+85: Performance:      688.373        0.035
 85: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      6 time    0.006         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     12 time    0.012         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Last energy frame read 4 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+85: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      0 time    0.000         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      6 time    0.006         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.012         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      8 time    0.008         
Reading energy frame      4 time    0.016         
Reading energy frame      3 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame      9 time    0.009         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Last energy frame read 4 time    0.016         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 85: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 85:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 85:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -302436,9 +302319,9 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was turned on during the run due to measured imbalance.
-85:  Average load imbalance: 5.0%.
-85:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 2.3%.
+85:  Average load imbalance: 6.1%.
+85:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 3.0%.
 85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 85: 
 85: 
@@ -302446,9 +302329,9 @@
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      191.1
+85:        Time:        0.002        0.001      191.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1272.981        0.019
+85: Performance:     1166.117        0.021
 85: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
@@ -302469,15 +302352,15 @@
 85: Excluding 1 bonded neighbours molecule type 'Argon'
 85: 
 85: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-85: 
-85: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
-85: 
 85: Number of degrees of freedom in T-Coupling group System is 33.00
 85: 
 85: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 85:   NVE simulation: will use the initial temperature of 68.810 K for
 85:   determining the Verlet buffer size
 85: 
+85: 
+85: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
+85: 
 85: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 85: 
 85: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
@@ -302513,22 +302396,18 @@
 85: 
 85: Dynamic load balancing report:
 85:  DLB was off during the run due to low measured imbalance.
-85:  Average load imbalance: 4.3%.
-85:  The balanceable part of the MD step is 21%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 0.9%.
-85: 
+85:  Average load imbalance: 3.9%.
+85:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 1.8%.
 85: 
-85: NOTE: 37 % of the run time was spent in domain decomposition,
-85:       3 % of the run time was spent in pair search,
-85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 21 % of the run time was spent communicating energies,
+85: NOTE: 33 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.004        0.002      194.3
+85:        Time:        0.002        0.001      190.9
 85:                  (ns/day)    (hour/ns)
-85: Performance:      806.308        0.030
+85: Performance:     1145.198        0.021
 85: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
@@ -302544,6 +302423,12 @@
 85:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 85:   setting nstcomm equal to nstcalcenergy for less overhead
 85: 
+85: Number of degrees of freedom in T-Coupling group System is 33.00
+85: 
+85: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
+85:   NVE simulation: will use the initial temperature of 68.810 K for
+85:   determining the Verlet buffer size
+85: 
 85: Generated 1 of the 1 non-bonded parameter combinations
 85: 
 85: Excluding 1 bonded neighbours molecule type 'Argon'
@@ -302559,12 +302444,6 @@
 85: Note that mdrun will redetermine rlist based on the actual pair-list setup
 85: 
 85: This run will generate roughly 0 Mb of data
-85: Number of degrees of freedom in T-Coupling group System is 33.00
-85: 
-85: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
-85:   NVE simulation: will use the initial temperature of 68.810 K for
-85:   determining the Verlet buffer size
-85: 
 85: 
 85: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 85:   COM removal frequency is set to (1).
@@ -302592,35 +302471,34 @@
 85: 
 85: 
 85: Dynamic load balancing report:
-85:  DLB was turned on during the run due to measured imbalance.
-85:  Average load imbalance: 4.8%.
-85:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-85:  Part of the total run time spent waiting due to load imbalance: 2.2%.
-85:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+85:  DLB was off during the run due to low measured imbalance.
+85:  Average load imbalance: 1.7%.
+85:  The balanceable part of the MD step is 33%, load imbalance is computed from this.
+85:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 85: 
 85: 
-85: NOTE: 10 % of the run time was spent in domain decomposition,
-85:       4 % of the run time was spent in pair search,
+85: NOTE: 11 % of the run time was spent in domain decomposition,
+85:       3 % of the run time was spent in pair search,
 85:       you might want to increase nstlist (this has no effect on accuracy)
 85: 
-85: NOTE: 31 % of the run time was spent communicating energies,
+85: NOTE: 25 % of the run time was spent communicating energies,
 85:       you might want to increase some nst* mdp options
 85: 
 85:                Core t (s)   Wall t (s)        (%)
-85:        Time:        0.002        0.001      190.9
+85:        Time:        0.003        0.002      193.0
 85:                  (ns/day)    (hour/ns)
-85: Performance:     1396.010        0.017
-85: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
+85: Performance:      923.281        0.026
 85: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
+85: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 85: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-85: [       OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (51 ms)
-85: [----------] 1 test from BasicPropagators/PeriodicActionsTest (51 ms total)
+85: [       OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (59 ms)
+85: [----------] 1 test from BasicPropagators/PeriodicActionsTest (59 ms total)
 85: 
 85: [----------] Global test environment tear-down
-85: [==========] 1 test from 1 test suite ran. (64 ms total)
+85: [==========] 1 test from 1 test suite ran. (72 ms total)
 85: [  PASSED  ] 1 test.
-85/96 Test #85: MdrunCoordinationBasicTests2Ranks ............   Passed    0.26 sec
+85/96 Test #85: MdrunCoordinationBasicTests2Ranks ............   Passed    0.28 sec
 test 86
       Start 86: MdrunCoordinationCouplingTests1Rank
 
@@ -302677,9 +302555,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.004        0.004       98.4
+86:        Time:        0.003        0.003       98.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:      394.429        0.061
+86: Performance:      420.949        0.057
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -302702,8 +302580,6 @@
 86:   determining the Verlet buffer size
 86: 
 86: 
-86: There were 3 NOTEs
-86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -302713,6 +302589,8 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: 
+86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Can not increase nstlist because an NVE ensemble is used
 86: Using 1 MPI process
@@ -302726,9 +302604,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.8
+86:        Time:        0.001        0.001       95.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1229.414        0.020
+86: Performance:     1289.637        0.019
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -302787,7 +302665,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       95.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1564.397        0.015
+86: Performance:     1686.910        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -302813,16 +302691,6 @@
 86:   determining the Verlet buffer size
 86: 
 86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
-86: 
-86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: 
-86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-86: 
-86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: 
-86: This run will generate roughly 0 Mb of data
-86: 
 86: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 86:   COM removal frequency is set to (5).
 86:   Other settings require a global communication frequency of 100.
@@ -302832,6 +302700,16 @@
 86: 
 86: 
 86: There were 4 NOTEs
+86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
+86: 
+86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+86: 
+86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+86: 
+86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: 
+86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Can not increase nstlist because an NVE ensemble is used
 86: Using 1 MPI process
@@ -302845,9 +302723,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.2
+86:        Time:        0.001        0.001       94.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1640.201        0.015
+86: Performance:     1862.332        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 86: 
@@ -302905,9 +302783,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.0
+86:        Time:        0.001        0.001       95.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1839.532        0.013
+86: Performance:     1626.345        0.015
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 86: 
@@ -302926,8 +302804,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
@@ -302935,14 +302811,6 @@
 86:   determining the Verlet buffer size
 86: 
 86: 
-86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: 
-86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-86: 
-86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: 
-86: This run will generate roughly 0 Mb of data
-86: 
 86: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 86:   COM removal frequency is set to (5).
 86:   Other settings require a global communication frequency of 100.
@@ -302952,6 +302820,16 @@
 86: 
 86: 
 86: There were 4 NOTEs
+86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
+86: 
+86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+86: 
+86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+86: 
+86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: 
+86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Can not increase nstlist because an NVE ensemble is used
 86: Using 1 MPI process
@@ -302965,12 +302843,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       70.5
+86:        Time:        0.001        0.001       95.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1312.161        0.018
+86: Performance:     2074.973        0.012
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (53 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (50 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -302993,16 +302871,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
-86:   NVE simulation: will use the initial temperature of 68.810 K for
-86:   determining the Verlet buffer size
-86: 
-86: 
-86: There were 3 NOTEs
-86: 
-86: There was 1 WARNING
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 86: 
@@ -303013,6 +302881,16 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
+86:   NVE simulation: will use the initial temperature of 68.810 K for
+86:   determining the Verlet buffer size
+86: 
+86: 
+86: There were 3 NOTEs
+86: 
+86: There was 1 WARNING
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Can not increase nstlist because an NVE ensemble is used
 86: Using 1 MPI process
@@ -303028,7 +302906,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       96.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1398.228        0.017
+86: Performance:     1405.245        0.017
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -303065,11 +302943,11 @@
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
-86: This run will generate roughly 0 Mb of data
-86: 
 86: There were 3 NOTEs
 86: 
 86: There was 1 WARNING
+86: 
+86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Can not increase nstlist because an NVE ensemble is used
 86: Using 1 MPI process
@@ -303083,9 +302961,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.0
+86:        Time:        0.001        0.001       95.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1697.601        0.014
+86: Performance:     1962.598        0.012
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -303142,9 +303020,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.6
+86:        Time:        0.001        0.001       95.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2019.205        0.012
+86: Performance:     2345.106        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -303202,9 +303080,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.6
+86:        Time:        0.001        0.001       96.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1053.273        0.023
+86: Performance:     1876.513        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 86: 
@@ -303236,10 +303114,6 @@
 86:   determining the Verlet buffer size
 86: 
 86: 
-86: There were 3 NOTEs
-86: 
-86: There was 1 WARNING
-86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -303249,6 +303123,10 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: 
+86: There were 3 NOTEs
+86: 
+86: There was 1 WARNING
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Can not increase nstlist because an NVE ensemble is used
 86: Using 1 MPI process
@@ -303262,9 +303140,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       94.9
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2287.632        0.010
+86: Performance:     2306.475        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 86: 
@@ -303289,15 +303167,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
-86: 
-86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: 
-86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-86: 
-86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: 
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -303308,6 +303177,15 @@
 86: There were 3 NOTEs
 86: 
 86: There was 1 WARNING
+86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
+86: 
+86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+86: 
+86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+86: 
+86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: 
 86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Can not increase nstlist because an NVE ensemble is used
@@ -303322,12 +303200,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.3
+86:        Time:        0.001        0.001       95.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2136.869        0.011
+86: Performance:     2288.482        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (34 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (31 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -303344,6 +303222,8 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -303353,8 +303233,6 @@
 86: 
 86: There were 3 NOTEs
 86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
-86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 86: 
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
@@ -303375,9 +303253,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.5
+86:        Time:        0.001        0.001       96.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1624.629        0.015
+86: Performance:     1861.207        0.013
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -303393,6 +303271,14 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
+86:   NVE simulation: will use the initial temperature of 68.810 K for
+86:   determining the Verlet buffer size
+86: 
+86: 
+86: There were 3 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 86: 
@@ -303403,14 +303289,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
-86:   NVE simulation: will use the initial temperature of 68.810 K for
-86:   determining the Verlet buffer size
-86: 
-86: 
-86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Can not increase nstlist because an NVE ensemble is used
 86: Using 1 MPI process
@@ -303424,9 +303302,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.1
+86:        Time:        0.001        0.001       95.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2148.045        0.011
+86: Performance:     2237.775        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -303444,6 +303322,12 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
+86:   NVE simulation: will use the initial temperature of 68.810 K for
+86:   determining the Verlet buffer size
+86: 
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 86: 
@@ -303454,12 +303338,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
-86:   NVE simulation: will use the initial temperature of 68.810 K for
-86:   determining the Verlet buffer size
-86: 
 86: 
 86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -303475,9 +303353,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.2
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2476.123        0.010
+86: Performance:     2607.107        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -303496,6 +303374,14 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
+86:   NVE simulation: will use the initial temperature of 68.810 K for
+86:   determining the Verlet buffer size
+86: 
+86: 
+86: There were 3 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 86: 
@@ -303506,14 +303392,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
-86:   NVE simulation: will use the initial temperature of 68.810 K for
-86:   determining the Verlet buffer size
-86: 
-86: 
-86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Can not increase nstlist because an NVE ensemble is used
 86: Using 1 MPI process
@@ -303527,9 +303405,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.4
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2315.142        0.010
+86: Performance:     2473.141        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 86: 
@@ -303548,6 +303426,12 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
+86:   NVE simulation: will use the initial temperature of 68.810 K for
+86:   determining the Verlet buffer size
+86: 
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 86: 
@@ -303558,12 +303442,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
-86:   NVE simulation: will use the initial temperature of 68.810 K for
-86:   determining the Verlet buffer size
-86: 
 86: 
 86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -303579,9 +303457,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.4
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2401.791        0.010
+86: Performance:     2588.485        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 86: 
@@ -303595,6 +303473,11 @@
 86:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 86:   setting nstcomm equal to nstcalcenergy for less overhead
 86: 
+86: Generated 1 of the 1 non-bonded parameter combinations
+86: 
+86: Excluding 1 bonded neighbours molecule type 'Argon'
+86: 
+86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -303602,13 +303485,6 @@
 86:   determining the Verlet buffer size
 86: 
 86: 
-86: There were 3 NOTEs
-86: Generated 1 of the 1 non-bonded parameter combinations
-86: 
-86: Excluding 1 bonded neighbours molecule type 'Argon'
-86: 
-86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -303617,6 +303493,8 @@
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
+86: There were 3 NOTEs
+86: 
 86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Can not increase nstlist because an NVE ensemble is used
@@ -303633,10 +303511,10 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       95.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2394.323        0.010
+86: Performance:     2573.347        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (28 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (27 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -303651,15 +303529,7 @@
 86: Generated 1 of the 1 non-bonded parameter combinations
 86: 
 86: Excluding 1 bonded neighbours molecule type 'Argon'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
-86:   NVE simulation: will use the initial temperature of 68.810 K for
-86:   determining the Verlet buffer size
-86: 
 86: 
-86: 
-86: There were 3 NOTEs
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
@@ -303671,6 +303541,14 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
+86:   NVE simulation: will use the initial temperature of 68.810 K for
+86:   determining the Verlet buffer size
+86: 
+86: 
+86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Can not increase nstlist because an NVE ensemble is used
 86: Using 1 MPI process
@@ -303684,9 +303562,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.5
+86:        Time:        0.001        0.001       96.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1835.149        0.013
+86: Performance:     1975.816        0.012
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -303697,14 +303575,6 @@
 86: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 86:   Setting nstcalcenergy (100) equal to nstenergy (1)
 86: 
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
-86:   NVE simulation: will use the initial temperature of 68.810 K for
-86:   determining the Verlet buffer size
-86: 
-86: 
-86: There were 3 NOTEs
 86: Generated 1 of the 1 non-bonded parameter combinations
 86: 
 86: Excluding 1 bonded neighbours molecule type 'Argon'
@@ -303720,6 +303590,14 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
+86:   NVE simulation: will use the initial temperature of 68.810 K for
+86:   determining the Verlet buffer size
+86: 
+86: 
+86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Can not increase nstlist because an NVE ensemble is used
 86: Using 1 MPI process
@@ -303733,9 +303611,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.9
+86:        Time:        0.001        0.001       96.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2169.987        0.011
+86: Performance:     2459.319        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -303753,14 +303631,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
-86:   NVE simulation: will use the initial temperature of 68.810 K for
-86:   determining the Verlet buffer size
-86: 
-86: 
-86: There were 3 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 86: 
@@ -303771,6 +303641,14 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
+86:   NVE simulation: will use the initial temperature of 68.810 K for
+86:   determining the Verlet buffer size
+86: 
+86: 
+86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Can not increase nstlist because an NVE ensemble is used
 86: Using 1 MPI process
@@ -303784,9 +303662,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.4
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2437.908        0.010
+86: Performance:     2707.953        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -303803,14 +303681,6 @@
 86: Generated 1 of the 1 non-bonded parameter combinations
 86: 
 86: Excluding 1 bonded neighbours molecule type 'Argon'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
-86:   NVE simulation: will use the initial temperature of 68.810 K for
-86:   determining the Verlet buffer size
-86: 
-86: 
-86: There were 3 NOTEs
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: 
@@ -303823,6 +303693,14 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
+86:   NVE simulation: will use the initial temperature of 68.810 K for
+86:   determining the Verlet buffer size
+86: 
+86: 
+86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Can not increase nstlist because an NVE ensemble is used
 86: Using 1 MPI process
@@ -303836,9 +303714,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.2
+86:        Time:        0.001        0.001       95.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2445.651        0.010
+86: Performance:     2558.386        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 86: 
@@ -303857,6 +303735,8 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -303866,8 +303746,6 @@
 86: 
 86: There were 3 NOTEs
 86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
-86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 86: 
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
@@ -303888,9 +303766,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.4
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2402.728        0.010
+86: Performance:     2584.142        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 86: 
@@ -303942,10 +303820,10 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2388.753        0.010
+86: Performance:     2548.860        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (26 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (24 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -303957,9 +303835,6 @@
 86: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 86:   Setting nstcalcenergy (100) equal to nstenergy (1)
 86: 
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
 86: Generated 1 of the 1 non-bonded parameter combinations
 86: 
 86: Excluding 1 bonded neighbours molecule type 'Argon'
@@ -303967,6 +303842,7 @@
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 86: 
@@ -303975,6 +303851,8 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: 
+86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -303989,9 +303867,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.7
+86:        Time:        0.001        0.001       96.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1893.237        0.013
+86: Performance:     2111.238        0.011
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -304007,6 +303885,9 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 2 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -304017,9 +303898,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -304034,9 +303912,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.1
+86:        Time:        0.001        0.001       95.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2274.121        0.011
+86: Performance:     2537.312        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -304054,6 +303932,16 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+86: 
+86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+86: 
+86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+86: 
+86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: 
+86: This run will generate roughly 0 Mb of data
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -304065,16 +303953,6 @@
 86: 
 86: 
 86: There were 3 NOTEs
-86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-86: 
-86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: 
-86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-86: 
-86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: 
-86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -304089,9 +303967,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       92.8
+86:        Time:        0.001        0.001       95.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2573.347        0.009
+86: Performance:     2710.336        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -304105,11 +303983,6 @@
 86:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 86:   setting nstcomm equal to nstcalcenergy for less overhead
 86: 
-86: Generated 1 of the 1 non-bonded parameter combinations
-86: 
-86: Excluding 1 bonded neighbours molecule type 'Argon'
-86: 
-86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -304121,6 +303994,11 @@
 86: 
 86: 
 86: There were 3 NOTEs
+86: Generated 1 of the 1 non-bonded parameter combinations
+86: 
+86: Excluding 1 bonded neighbours molecule type 'Argon'
+86: 
+86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -304145,9 +304023,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.4
+86:        Time:        0.001        0.001       95.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2401.791        0.010
+86: Performance:     2459.319        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 86: 
@@ -304166,18 +304044,8 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-86: 
-86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: 
-86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-86: 
-86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
-86: This run will generate roughly 0 Mb of data
-86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 86:   COM removal frequency is set to (5).
 86:   Other settings require a global communication frequency of 2.
@@ -304187,6 +304055,16 @@
 86: 
 86: 
 86: There were 3 NOTEs
+86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+86: 
+86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+86: 
+86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+86: 
+86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: 
+86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -304203,7 +304081,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       95.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2432.133        0.010
+86: Performance:     2560.513        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 86: 
@@ -304222,18 +304100,16 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 86: 
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
-86: This run will generate roughly 0 Mb of data
-86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 86:   COM removal frequency is set to (5).
 86:   Other settings require a global communication frequency of 2.
@@ -304243,6 +304119,8 @@
 86: 
 86: 
 86: There were 3 NOTEs
+86: 
+86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -304257,12 +304135,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.5
+86:        Time:        0.001        0.001       95.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2441.773        0.010
+86: Performance:     2552.027        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (27 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (25 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
@@ -304287,6 +304165,10 @@
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
+86: There were 2 NOTEs
+86: 
+86: There was 1 WARNING
+86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -304296,10 +304178,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: 
-86: There were 2 NOTEs
-86: 
-86: There was 1 WARNING
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -304314,9 +304192,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.2
+86:        Time:        0.001        0.001       96.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1900.245        0.013
+86: Performance:     1993.075        0.012
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -304367,9 +304245,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.8
+86:        Time:        0.001        0.001       95.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2136.128        0.011
+86: Performance:     2355.868        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -304422,9 +304300,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       94.9
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2501.256        0.010
+86: Performance:     2707.953        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -304451,6 +304329,10 @@
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
+86: There were 2 NOTEs
+86: 
+86: There was 1 WARNING
+86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -304460,10 +304342,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: 
-86: There were 2 NOTEs
-86: 
-86: There was 1 WARNING
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -304478,9 +304356,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.3
+86:        Time:        0.001        0.001       95.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2286.783        0.010
+86: Performance:     2637.240        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 86: 
@@ -304536,7 +304414,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       95.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2385.977        0.010
+86: Performance:     2629.361        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 86: 
@@ -304563,6 +304441,10 @@
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
+86: There were 2 NOTEs
+86: 
+86: There was 1 WARNING
+86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -304571,10 +304453,6 @@
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
-86: There were 2 NOTEs
-86: 
-86: There was 1 WARNING
-86: 
 86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
@@ -304592,10 +304470,10 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       95.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2384.131        0.010
+86: Performance:     2647.440        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (27 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (25 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
@@ -304639,9 +304517,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.1
+86:        Time:        0.001        0.001       96.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1916.203        0.013
+86: Performance:     2067.313        0.012
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -304657,6 +304535,7 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -304667,7 +304546,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -304684,9 +304562,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.9
+86:        Time:        0.001        0.001       96.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2117.043        0.011
+86: Performance:     2351.372        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -304699,14 +304577,14 @@
 86: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 86:   Setting nstcalcenergy (100) equal to nstenergy (4)
 86: 
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 2 NOTEs
 86: Generated 1 of the 1 non-bonded parameter combinations
 86: 
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -304731,9 +304609,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.3
+86:        Time:        0.001        0.001       95.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2521.733        0.010
+86: Performance:     2787.599        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -304752,6 +304630,9 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 2 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -304762,9 +304643,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -304779,9 +304657,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.3
+86:        Time:        0.001        0.001       95.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2344.214        0.010
+86: Performance:     2595.027        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 86: 
@@ -304802,12 +304680,12 @@
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
+86: There were 2 NOTEs
+86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 86: 
-86: There were 2 NOTEs
-86: 
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
@@ -304829,7 +304707,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       95.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2359.477        0.010
+86: Performance:     2645.167        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 86: 
@@ -304850,17 +304728,17 @@
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 86: 
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: 
-86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: There were 2 NOTEs
+86: 
+86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -304875,12 +304753,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.1
+86:        Time:        0.001        0.001       95.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2322.124        0.010
+86: Performance:     2608.211        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (27 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (25 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -304897,9 +304775,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -304910,6 +304785,9 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -304926,7 +304804,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       96.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1891.493        0.013
+86: Performance:     2019.205        0.012
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -304942,6 +304820,7 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -304952,7 +304831,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -304969,9 +304847,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.8
+86:        Time:        0.001        0.001       95.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2088.337        0.011
+86: Performance:     2438.873        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -304989,9 +304867,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -305002,6 +304877,9 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -305016,9 +304894,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.3
+86:        Time:        0.001        0.001       95.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2608.211        0.009
+86: Performance:     2579.813        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -305042,12 +304920,12 @@
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 86: 
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -305064,9 +304942,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.7
+86:        Time:        0.001        0.001       95.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2138.353        0.011
+86: Performance:     2385.054        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 86: 
@@ -305085,11 +304963,9 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 86: 
@@ -305098,6 +304974,8 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: 
+86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -305112,9 +304990,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.3
+86:        Time:        0.001        0.001       96.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2376.772        0.010
+86: Performance:     2027.178        0.012
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 86: 
@@ -305135,8 +305013,6 @@
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
-86: There were 2 NOTEs
-86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -305145,6 +305021,8 @@
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
+86: There were 2 NOTEs
+86: 
 86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
@@ -305160,12 +305038,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.3
+86:        Time:        0.001        0.001       95.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2378.608        0.010
+86: Performance:     2522.766        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (27 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (25 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
@@ -305187,9 +305065,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 3 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -305200,6 +305075,9 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -305216,7 +305094,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       96.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1979.625        0.012
+86: Performance:     2007.362        0.012
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -305264,9 +305142,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.8
+86:        Time:        0.001        0.001       96.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2357.671        0.010
+86: Performance:     2420.666        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -305297,9 +305175,9 @@
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 86:   COM removal frequency is set to (5).
@@ -305324,9 +305202,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.4
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2573.347        0.009
+86: Performance:     2676.192        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -305350,6 +305228,16 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+86: 
+86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+86: 
+86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+86: 
+86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: 
+86: This run will generate roughly 0 Mb of data
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
@@ -305361,16 +305249,6 @@
 86: 
 86: 
 86: There were 4 NOTEs
-86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-86: 
-86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: 
-86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-86: 
-86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: 
-86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -305385,9 +305263,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.3
+86:        Time:        0.001        0.001       95.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2514.528        0.010
+86: Performance:     2666.924        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 86: 
@@ -305406,6 +305284,11 @@
 86:   leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to
 86:   1
 86: 
+86: Generated 1 of the 1 non-bonded parameter combinations
+86: 
+86: Excluding 1 bonded neighbours molecule type 'Argon'
+86: 
+86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
@@ -305417,11 +305300,6 @@
 86: 
 86: 
 86: There were 4 NOTEs
-86: Generated 1 of the 1 non-bonded parameter combinations
-86: 
-86: Excluding 1 bonded neighbours molecule type 'Argon'
-86: 
-86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -305448,7 +305326,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       95.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2521.733        0.010
+86: Performance:     2566.914        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 86: 
@@ -305472,16 +305350,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-86: 
-86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: 
-86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-86: 
-86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: 
-86: This run will generate roughly 0 Mb of data
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
@@ -305493,6 +305361,16 @@
 86: 
 86: 
 86: There were 4 NOTEs
+86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+86: 
+86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+86: 
+86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+86: 
+86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: 
+86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -305507,12 +305385,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.6
+86:        Time:        0.001        0.001       95.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2393.393        0.010
+86: Performance:     2538.358        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (27 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (26 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
@@ -305542,6 +305420,10 @@
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
+86: There were 3 NOTEs
+86: 
+86: There was 1 WARNING
+86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -305550,10 +305432,6 @@
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
-86: There were 3 NOTEs
-86: 
-86: There was 1 WARNING
-86: 
 86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
@@ -305569,9 +305447,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.3
+86:        Time:        0.001        0.001       96.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1859.521        0.013
+86: Performance:     1953.264        0.012
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -305600,6 +305478,10 @@
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
+86: There were 3 NOTEs
+86: 
+86: There was 1 WARNING
+86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -305608,10 +305490,6 @@
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
-86: There were 3 NOTEs
-86: 
-86: There was 1 WARNING
-86: 
 86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
@@ -305627,9 +305505,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.0
+86:        Time:        0.001        0.001       95.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2055.587        0.012
+86: Performance:     2297.872        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -305658,21 +305536,21 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 3 NOTEs
-86: 
-86: There was 1 WARNING
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 86: 
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: 
+86: There were 3 NOTEs
+86: 
+86: There was 1 WARNING
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -305687,9 +305565,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.6
+86:        Time:        0.001        0.001       95.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2383.208        0.010
+86: Performance:     2586.311        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -305729,11 +305607,11 @@
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
+86: This run will generate roughly 0 Mb of data
+86: 
 86: There were 3 NOTEs
 86: 
 86: There was 1 WARNING
-86: 
-86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -305748,9 +305626,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.4
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2284.239        0.011
+86: Performance:     2471.157        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 86: 
@@ -305780,11 +305658,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 3 NOTEs
-86: 
-86: There was 1 WARNING
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -305795,6 +305668,11 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 3 NOTEs
+86: 
+86: There was 1 WARNING
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -305809,9 +305687,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.6
+86:        Time:        0.001        0.001       95.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2047.389        0.012
+86: Performance:     2471.157        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 86: 
@@ -305851,11 +305729,11 @@
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
+86: This run will generate roughly 0 Mb of data
+86: 
 86: There were 3 NOTEs
 86: 
 86: There was 1 WARNING
-86: 
-86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -305870,12 +305748,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.4
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2324.752        0.010
+86: Performance:     2634.984        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (28 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (27 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
@@ -305897,7 +305775,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -305908,6 +305785,7 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -305924,9 +305802,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.2
+86:        Time:        0.001        0.001       96.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1870.815        0.013
+86: Performance:     2009.326        0.012
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -305947,7 +305825,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -305958,6 +305835,7 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -305974,9 +305852,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.9
+86:        Time:        0.001        0.001       95.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2093.304        0.011
+86: Performance:     2292.740        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -305999,9 +305877,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 3 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -306012,6 +305887,9 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -306026,9 +305904,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.7
+86:        Time:        0.001        0.001       95.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2244.296        0.011
+86: Performance:     2628.240        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -306081,7 +305959,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       95.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2289.332        0.010
+86: Performance:     2421.617        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 86: 
@@ -306105,6 +305983,9 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 3 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -306115,9 +305996,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -306132,9 +306010,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.2
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2425.431        0.010
+86: Performance:     2442.741        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 86: 
@@ -306185,12 +306063,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.1
+86:        Time:        0.001        0.001       94.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2414.972        0.010
+86: Performance:     2342.431        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (28 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (26 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
@@ -306239,9 +306117,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.4
+86:        Time:        0.001        0.001       95.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1847.809        0.013
+86: Performance:     1902.005        0.013
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -306262,7 +306140,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -306273,6 +306150,7 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -306289,9 +306167,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.9
+86:        Time:        0.001        0.001       95.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2179.198        0.011
+86: Performance:     2297.872        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -306316,6 +306194,8 @@
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
+86: There were 3 NOTEs
+86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -306325,8 +306205,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: 
-86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -306341,9 +306219,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.3
+86:        Time:        0.000        0.001       95.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2521.733        0.010
+86: Performance:     2818.204        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -306367,9 +306245,11 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 3 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 86: 
@@ -306378,8 +306258,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: 
-86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -306394,9 +306272,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.1
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2436.944        0.010
+86: Performance:     2396.186        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 86: 
@@ -306423,16 +306301,16 @@
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 86: 
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 3 NOTEs
 86: 
 86: This run will generate roughly 0 Mb of data
+86: 
+86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -306447,9 +306325,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.1
+86:        Time:        0.001        0.001       95.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2295.303        0.010
+86: Performance:     2505.325        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 86: 
@@ -306475,6 +306353,8 @@
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
+86: There were 3 NOTEs
+86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -306484,8 +306364,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: 
-86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -306500,12 +306378,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.2
+86:        Time:        0.001        0.001       95.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2345.999        0.010
+86: Performance:     2480.110        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (28 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (26 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
@@ -306522,7 +306400,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -306531,6 +306408,7 @@
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: This run will generate roughly 0 Mb of data
 86: 
@@ -306551,7 +306429,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       96.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1921.583        0.012
+86: Performance:     2035.214        0.012
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -306569,8 +306447,6 @@
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
-86: There were 2 NOTEs
-86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -306580,6 +306456,8 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: 
+86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -306594,9 +306472,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.4
+86:        Time:        0.001        0.001       96.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2266.591        0.011
+86: Performance:     2081.985        0.012
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -306614,16 +306492,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-86: 
-86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: 
-86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-86: 
-86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: 
-86: This run will generate roughly 0 Mb of data
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
@@ -306635,6 +306503,16 @@
 86: 
 86: 
 86: There were 3 NOTEs
+86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+86: 
+86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+86: 
+86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+86: 
+86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: 
+86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -306649,9 +306527,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.2
+86:        Time:        0.001        0.001       95.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2598.310        0.009
+86: Performance:     2617.075        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -306670,6 +306548,16 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+86: 
+86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+86: 
+86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+86: 
+86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: 
+86: This run will generate roughly 0 Mb of data
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
@@ -306681,16 +306569,6 @@
 86: 
 86: 
 86: There were 3 NOTEs
-86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-86: 
-86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: 
-86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-86: 
-86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: 
-86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -306707,7 +306585,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       95.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2391.535        0.010
+86: Performance:     2431.174        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 86: 
@@ -306721,6 +306599,11 @@
 86:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 86:   setting nstcomm equal to nstcalcenergy for less overhead
 86: 
+86: Generated 1 of the 1 non-bonded parameter combinations
+86: 
+86: Excluding 1 bonded neighbours molecule type 'Argon'
+86: 
+86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
@@ -306732,11 +306615,6 @@
 86: 
 86: 
 86: There were 3 NOTEs
-86: Generated 1 of the 1 non-bonded parameter combinations
-86: 
-86: Excluding 1 bonded neighbours molecule type 'Argon'
-86: 
-86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -306763,7 +306641,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       96.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2335.327        0.010
+86: Performance:     2630.484        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 86: 
@@ -306817,12 +306695,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.1
+86:        Time:        0.001        0.001       95.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2407.422        0.010
+86: Performance:     2435.017        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (27 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (26 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
@@ -306845,6 +306723,11 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 2 NOTEs
+86: 
+86: There was 1 WARNING
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -306855,11 +306738,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
-86: 
-86: There was 1 WARNING
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -306876,7 +306754,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       96.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1876.513        0.013
+86: Performance:     1944.632        0.012
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -306898,11 +306776,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
-86: 
-86: There was 1 WARNING
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -306913,6 +306786,11 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 2 NOTEs
+86: 
+86: There was 1 WARNING
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -306927,9 +306805,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.1
+86:        Time:        0.001        0.001       96.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2225.648        0.011
+86: Performance:     2236.962        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -306982,9 +306860,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.9
+86:        Time:        0.001        0.001       96.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2404.603        0.010
+86: Performance:     2545.700        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -307009,11 +306887,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
-86: 
-86: There was 1 WARNING
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -307024,6 +306897,11 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 2 NOTEs
+86: 
+86: There was 1 WARNING
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -307038,9 +306916,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.1
+86:        Time:        0.001        0.001       95.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2363.097        0.010
+86: Performance:     2312.535        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 86: 
@@ -307065,7 +306943,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -307076,6 +306953,7 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: There were 2 NOTEs
 86: 
@@ -307094,9 +306972,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       94.1
+86:        Time:        0.001        0.001       96.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2274.121        0.011
+86: Performance:     2326.508        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 86: 
@@ -307129,13 +307007,13 @@
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: 
+86: This run will generate roughly 0 Mb of data
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: There were 2 NOTEs
 86: 
 86: There was 1 WARNING
-86: 
-86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -307150,9 +307028,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.1
+86:        Time:        0.001        0.001       96.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2269.931        0.011
+86: Performance:     2382.287        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (27 ms)
@@ -307174,6 +307052,8 @@
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
+86: There were 2 NOTEs
+86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -307183,8 +307063,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: 
-86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -307199,9 +307077,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.8
+86:        Time:        0.001        0.001       96.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1884.550        0.013
+86: Performance:     2050.797        0.012
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -307244,9 +307122,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.5
+86:        Time:        0.001        0.001       96.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2151.045        0.011
+86: Performance:     2234.528        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -307264,6 +307142,9 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 2 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -307274,9 +307155,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -307291,9 +307169,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.1
+86:        Time:        0.001        0.001       95.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2368.548        0.010
+86: Performance:     2493.158        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -307312,6 +307190,9 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 2 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -307320,9 +307201,6 @@
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
 86: 
 86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -307339,9 +307217,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.0
+86:        Time:        0.001        0.001       95.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2343.322        0.010
+86: Performance:     2401.791        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 86: 
@@ -307387,9 +307265,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.8
+86:        Time:        0.001        0.001       93.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2325.630        0.010
+86: Performance:     2427.342        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 86: 
@@ -307408,9 +307286,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -307419,6 +307294,9 @@
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 2 NOTEs
 86: 
 86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -307435,12 +307313,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.9
+86:        Time:        0.001        0.001       95.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2267.425        0.011
+86: Performance:     2456.377        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (27 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (26 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
@@ -307459,6 +307337,8 @@
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
+86: There were 2 NOTEs
+86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -307467,8 +307347,6 @@
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
-86: There were 2 NOTEs
-86: 
 86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
@@ -307486,7 +307364,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       96.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1848.918        0.013
+86: Performance:     1847.254        0.013
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -307497,9 +307375,6 @@
 86: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
 86:   Setting nstcalcenergy (100) equal to nstenergy (1)
 86: 
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
 86: Generated 1 of the 1 non-bonded parameter combinations
 86: 
 86: Excluding 1 bonded neighbours molecule type 'Argon'
@@ -307515,6 +307390,9 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -307529,9 +307407,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.2
+86:        Time:        0.001        0.001       96.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2214.448        0.011
+86: Performance:     2261.598        0.011
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -307551,10 +307429,10 @@
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
-86: There were 2 NOTEs
-86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
+86: 
+86: There were 2 NOTEs
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 86: 
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
@@ -307576,9 +307454,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.0
+86:        Time:        0.001        0.001       95.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2434.055        0.010
+86: Performance:     2707.953        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -307624,9 +307502,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.8
+86:        Time:        0.001        0.001       95.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2333.558        0.010
+86: Performance:     2589.573        0.009
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
 86: 
@@ -307645,12 +307523,12 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 86: 
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
@@ -307672,9 +307550,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.8
+86:        Time:        0.001        0.001       95.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2341.541        0.010
+86: Performance:     2316.884        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
 86: 
@@ -307720,12 +307598,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.1
+86:        Time:        0.001        0.001       95.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     2241.031        0.011
+86: Performance:     2400.855        0.010
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (27 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (26 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
@@ -307775,7 +307653,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       98.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1512.544        0.016
+86: Performance:     1589.420        0.015
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -307791,6 +307669,14 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
+86:   NVE simulation: will use the initial temperature of 68.810 K for
+86:   determining the Verlet buffer size
+86: 
+86: 
+86: There were 3 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 86: 
@@ -307801,14 +307687,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
-86:   NVE simulation: will use the initial temperature of 68.810 K for
-86:   determining the Verlet buffer size
-86: 
-86: 
-86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Can not increase nstlist because an NVE ensemble is used
 86: Using 1 MPI process
@@ -307824,7 +307702,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       97.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1732.938        0.014
+86: Performance:     1846.701        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -307881,9 +307759,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.7
+86:        Time:        0.001        0.001       97.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1650.749        0.015
+86: Performance:     1860.083        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -307902,16 +307780,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
-86: 
-86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: 
-86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-86: 
-86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: 
-86: This run will generate roughly 0 Mb of data
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
@@ -307928,6 +307796,16 @@
 86: 
 86: 
 86: There were 4 NOTEs
+86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
+86: 
+86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+86: 
+86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+86: 
+86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: 
+86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Can not increase nstlist because an NVE ensemble is used
 86: Using 1 MPI process
@@ -307941,9 +307819,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.8
+86:        Time:        0.001        0.001       97.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1815.677        0.013
+86: Performance:     1910.262        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 86: 
@@ -307964,6 +307842,12 @@
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
+86:   NVE simulation: will use the initial temperature of 68.810 K for
+86:   determining the Verlet buffer size
+86: 
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 86: 
@@ -307972,12 +307856,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
-86:   NVE simulation: will use the initial temperature of 68.810 K for
-86:   determining the Verlet buffer size
-86: 
 86: 
 86: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
 86:   COM removal frequency is set to (5).
@@ -308001,9 +307879,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.6
+86:        Time:        0.001        0.001       97.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1860.083        0.013
+86: Performance:     1877.657        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 86: 
@@ -308017,6 +307895,21 @@
 86:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 86:   setting nstcomm equal to nstcalcenergy for less overhead
 86: 
+86: Generated 1 of the 1 non-bonded parameter combinations
+86: 
+86: Excluding 1 bonded neighbours molecule type 'Argon'
+86: 
+86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
+86: 
+86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+86: 
+86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+86: 
+86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: 
+86: This run will generate roughly 0 Mb of data
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
@@ -308033,21 +307926,6 @@
 86: 
 86: 
 86: There were 4 NOTEs
-86: Generated 1 of the 1 non-bonded parameter combinations
-86: 
-86: Excluding 1 bonded neighbours molecule type 'Argon'
-86: 
-86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
-86: 
-86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: 
-86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-86: 
-86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: 
-86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Can not increase nstlist because an NVE ensemble is used
 86: Using 1 MPI process
@@ -308063,7 +307941,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       97.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1801.343        0.013
+86: Performance:     1968.241        0.012
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 (27 ms)
@@ -308122,9 +308000,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.9
+86:        Time:        0.001        0.001       97.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1456.750        0.016
+86: Performance:     1482.694        0.016
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -308146,12 +308024,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
-86:   NVE simulation: will use the initial temperature of 68.810 K for
-86:   determining the Verlet buffer size
-86: 
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 86: 
@@ -308162,6 +308034,12 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
+86:   NVE simulation: will use the initial temperature of 68.810 K for
+86:   determining the Verlet buffer size
+86: 
 86: 
 86: There were 3 NOTEs
 86: 
@@ -308179,9 +308057,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.8
+86:        Time:        0.001        0.001       97.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1586.555        0.015
+86: Performance:     1666.827        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -308205,6 +308083,12 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
+86:   NVE simulation: will use the initial temperature of 68.810 K for
+86:   determining the Verlet buffer size
+86: 
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 86: 
@@ -308215,12 +308099,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
-86:   NVE simulation: will use the initial temperature of 68.810 K for
-86:   determining the Verlet buffer size
-86: 
 86: 
 86: There were 3 NOTEs
 86: 
@@ -308238,9 +308116,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.8
+86:        Time:        0.001        0.001       97.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1670.443        0.014
+86: Performance:     1740.772        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -308300,7 +308178,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       97.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1744.716        0.014
+86: Performance:     1796.615        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 86: 
@@ -308325,6 +308203,14 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
+86: 
+86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+86: 
+86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+86: 
+86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
@@ -308336,14 +308222,6 @@
 86: 
 86: There was 1 WARNING
 86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
-86: 
-86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: 
-86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-86: 
-86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: 
 86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Can not increase nstlist because an NVE ensemble is used
@@ -308358,9 +308236,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.7
+86:        Time:        0.001        0.001       97.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1696.666        0.014
+86: Performance:     1792.433        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 86: 
@@ -308385,6 +308263,12 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
+86:   NVE simulation: will use the initial temperature of 68.810 K for
+86:   determining the Verlet buffer size
+86: 
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 86: 
@@ -308393,12 +308277,6 @@
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
-86:   NVE simulation: will use the initial temperature of 68.810 K for
-86:   determining the Verlet buffer size
-86: 
 86: 
 86: This run will generate roughly 0 Mb of data
 86: 
@@ -308418,12 +308296,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.6
+86:        Time:        0.001        0.001       97.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1728.077        0.014
+86: Performance:     1764.707        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (28 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (27 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/18
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
@@ -308440,12 +308318,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
-86:   NVE simulation: will use the initial temperature of 68.810 K for
-86:   determining the Verlet buffer size
-86: 
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 86: 
@@ -308455,9 +308327,15 @@
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
-86: There were 3 NOTEs
-86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
+86:   NVE simulation: will use the initial temperature of 68.810 K for
+86:   determining the Verlet buffer size
+86: 
+86: 
+86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Can not increase nstlist because an NVE ensemble is used
 86: Using 1 MPI process
@@ -308471,9 +308349,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       98.1
+86:        Time:        0.001        0.001       97.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1467.856        0.016
+86: Performance:     1459.165        0.016
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -308489,6 +308367,12 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
+86:   NVE simulation: will use the initial temperature of 68.810 K for
+86:   determining the Verlet buffer size
+86: 
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 86: 
@@ -308499,12 +308383,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
-86:   NVE simulation: will use the initial temperature of 68.810 K for
-86:   determining the Verlet buffer size
-86: 
 86: 
 86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -308520,9 +308398,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       86.2
+86:        Time:        0.001        0.001       97.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1380.989        0.017
+86: Performance:     1757.659        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -308540,6 +308418,12 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
+86:   NVE simulation: will use the initial temperature of 68.810 K for
+86:   determining the Verlet buffer size
+86: 
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 86: 
@@ -308550,12 +308434,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
-86:   NVE simulation: will use the initial temperature of 68.810 K for
-86:   determining the Verlet buffer size
-86: 
 86: 
 86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -308571,9 +308449,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.6
+86:        Time:        0.001        0.001       97.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1848.918        0.013
+86: Performance:     1815.677        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -308592,6 +308470,9 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
+86: 
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
@@ -308600,9 +308481,6 @@
 86: 
 86: 
 86: There were 3 NOTEs
-86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
-86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 86: 
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
@@ -308623,9 +308501,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.7
+86:        Time:        0.001        0.001       97.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1699.005        0.014
+86: Performance:     1478.070        0.016
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
 86: 
@@ -308651,6 +308529,8 @@
 86:   determining the Verlet buffer size
 86: 
 86: 
+86: There were 3 NOTEs
+86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -308660,8 +308540,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: 
-86: There were 3 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Can not increase nstlist because an NVE ensemble is used
 86: Using 1 MPI process
@@ -308675,9 +308553,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.8
+86:        Time:        0.001        0.001       97.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1646.777        0.015
+86: Performance:     1719.875        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
 86: 
@@ -308727,12 +308605,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.7
+86:        Time:        0.001        0.001       97.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1664.126        0.014
+86: Performance:     1800.290        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/18 (28 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/18 (27 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/19
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
@@ -308776,9 +308654,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.3
+86:        Time:        0.001        0.001       96.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1456.061        0.016
+86: Performance:     1496.743        0.016
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -308821,9 +308699,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.8
+86:        Time:        0.001        0.001       96.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1620.782        0.015
+86: Performance:     1745.211        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -308836,6 +308714,7 @@
 86: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
 86:   Setting nstcalcenergy (100) equal to nstenergy (4)
 86: 
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: Generated 1 of the 1 non-bonded parameter combinations
 86: 
 86: Excluding 1 bonded neighbours molecule type 'Argon'
@@ -308849,7 +308728,6 @@
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
 86:   COM removal frequency is set to (5).
@@ -308878,7 +308756,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       96.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1922.182        0.012
+86: Performance:     1840.632        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -308897,6 +308775,16 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+86: 
+86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+86: 
+86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+86: 
+86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: 
+86: This run will generate roughly 0 Mb of data
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
@@ -308908,16 +308796,6 @@
 86: 
 86: 
 86: There were 3 NOTEs
-86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-86: 
-86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: 
-86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-86: 
-86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: 
-86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -308932,9 +308810,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.5
+86:        Time:        0.001        0.001       96.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1754.155        0.014
+86: Performance:     1863.458        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
 86: 
@@ -308953,9 +308831,9 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 86: 
@@ -308963,6 +308841,8 @@
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
+86: This run will generate roughly 0 Mb of data
+86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
 86:   COM removal frequency is set to (5).
 86:   Other settings require a global communication frequency of 2.
@@ -308972,8 +308852,6 @@
 86: 
 86: 
 86: There were 3 NOTEs
-86: 
-86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -308988,9 +308866,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.6
+86:        Time:        0.001        0.001       96.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1781.033        0.013
+86: Performance:     1824.280        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
 86: 
@@ -309044,9 +308922,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.8
+86:        Time:        0.001        0.001       96.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1759.667        0.014
+86: Performance:     1813.006        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
 86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/19 (28 ms)
@@ -309072,11 +308950,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
-86: 
-86: There was 1 WARNING
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -309087,6 +308960,11 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 2 NOTEs
+86: 
+86: There was 1 WARNING
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -309101,9 +308979,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.9
+86:        Time:        0.001        0.001       97.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1466.459        0.016
+86: Performance:     1482.337        0.016
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -309129,10 +309007,6 @@
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
-86: There were 2 NOTEs
-86: 
-86: There was 1 WARNING
-86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 86: 
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
@@ -309140,6 +309014,10 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: 
+86: There were 2 NOTEs
+86: 
+86: There was 1 WARNING
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -309154,9 +309032,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.6
+86:        Time:        0.001        0.001       96.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1557.278        0.015
+86: Performance:     1774.365        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -309182,6 +309060,10 @@
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
+86: There were 2 NOTEs
+86: 
+86: There was 1 WARNING
+86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -309190,10 +309072,6 @@
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
-86: 
-86: There were 2 NOTEs
-86: 
-86: There was 1 WARNING
 86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
@@ -309209,9 +309087,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.4
+86:        Time:        0.001        0.001       96.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1779.490        0.013
+86: Performance:     1864.022        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -309236,6 +309114,7 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -309244,13 +309123,12 @@
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: This run will generate roughly 0 Mb of data
 86: 
 86: There were 2 NOTEs
 86: 
 86: There was 1 WARNING
-86: 
-86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -309265,9 +309143,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.7
+86:        Time:        0.001        0.001       97.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1658.302        0.014
+86: Performance:     1642.825        0.015
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
 86: 
@@ -309292,6 +309170,7 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -309302,7 +309181,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: There were 2 NOTEs
 86: 
@@ -309321,9 +309199,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.6
+86:        Time:        0.001        0.001       96.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1717.957        0.014
+86: Performance:     1737.826        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
 86: 
@@ -309348,11 +309226,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
-86: 
-86: There was 1 WARNING
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -309363,6 +309236,11 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 2 NOTEs
+86: 
+86: There was 1 WARNING
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -309377,12 +309255,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.6
+86:        Time:        0.001        0.001       97.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1659.196        0.014
+86: Performance:     1844.489        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/20 (29 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/20 (28 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/21
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_input.mdp]:
@@ -309426,9 +309304,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.9
+86:        Time:        0.001        0.001       96.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1452.285        0.017
+86: Performance:     1491.669        0.016
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -309444,7 +309322,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -309455,6 +309332,7 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -309471,9 +309349,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.6
+86:        Time:        0.001        0.001       96.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1648.981        0.015
+86: Performance:     1648.099        0.015
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -309491,6 +309369,9 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 2 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -309501,9 +309382,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -309518,9 +309396,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.7
+86:        Time:        0.001        0.001       96.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1627.634        0.015
+86: Performance:     1735.867        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -309539,19 +309417,19 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 2 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 86: 
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: 
-86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -309566,9 +309444,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.4
+86:        Time:        0.001        0.001       96.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1660.090        0.014
+86: Performance:     1780.518        0.013
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
 86: 
@@ -309589,6 +309467,8 @@
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
+86: There were 2 NOTEs
+86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -309598,8 +309478,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: 
-86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -309616,7 +309494,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       96.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1720.356        0.014
+86: Performance:     1677.722        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
 86: 
@@ -309635,9 +309513,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -309646,6 +309521,9 @@
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 2 NOTEs
 86: 
 86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -309662,12 +309540,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       96.5
+86:        Time:        0.001        0.001       96.3
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1717.957        0.014
+86: Performance:     1746.200        0.014
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/21 (29 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/21 (27 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/22
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
@@ -309684,7 +309562,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -309692,6 +309569,7 @@
 86: 
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 86: 
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
@@ -309711,9 +309589,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.3
+86:        Time:        0.001        0.001       97.5
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1253.172        0.019
+86: Performance:     1309.650        0.018
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -309731,6 +309609,8 @@
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
+86: There were 2 NOTEs
+86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -309740,8 +309620,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: 
-86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -309758,7 +309636,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       97.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1397.594        0.017
+86: Performance:     1467.157        0.016
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -309778,16 +309656,6 @@
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-86: 
-86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: 
-86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-86: 
-86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: 
-86: This run will generate roughly 0 Mb of data
-86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
 86:   COM removal frequency is set to (5).
 86:   Other settings require a global communication frequency of 2.
@@ -309797,6 +309665,16 @@
 86: 
 86: 
 86: There were 3 NOTEs
+86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+86: 
+86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+86: 
+86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+86: 
+86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: 
+86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -309811,9 +309689,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.0
+86:        Time:        0.001        0.001       96.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1514.776        0.016
+86: Performance:     1476.299        0.016
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -309867,9 +309745,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.0
+86:        Time:        0.001        0.001       96.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1467.507        0.016
+86: Performance:     1487.348        0.016
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
 86: 
@@ -309923,9 +309801,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.2
+86:        Time:        0.001        0.001       96.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1336.065        0.018
+86: Performance:     1533.249        0.016
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
 86: 
@@ -309944,6 +309822,7 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -309954,7 +309833,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
 86:   COM removal frequency is set to (5).
@@ -309979,12 +309857,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.1
+86:        Time:        0.001        0.001       96.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1384.403        0.017
+86: Performance:     1534.012        0.016
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/22 (30 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/22 (29 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/23
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
@@ -310002,16 +309880,6 @@
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-86: 
-86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: 
-86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-86: 
-86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: 
-86: This run will generate roughly 0 Mb of data
-86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
 86:   MTTK coupling is deprecated and will soon be removed
 86: 
@@ -310024,6 +309892,16 @@
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: There were 4 NOTEs
+86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+86: 
+86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+86: 
+86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+86: 
+86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: 
+86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -310038,9 +309916,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.002       97.4
+86:        Time:        0.002        0.002       96.7
 86:                  (ns/day)    (hour/ns)
-86: Performance:      978.027        0.025
+86: Performance:      946.328        0.025
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -310057,16 +309935,6 @@
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-86: 
-86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: 
-86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-86: 
-86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: 
-86: This run will generate roughly 0 Mb of data
-86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
 86:   MTTK coupling is deprecated and will soon be removed
 86: 
@@ -310079,6 +309947,16 @@
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: There were 4 NOTEs
+86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+86: 
+86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+86: 
+86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+86: 
+86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: 
+86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -310093,9 +309971,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.4
+86:        Time:        0.001        0.001       96.9
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1001.071        0.024
+86: Performance:     1056.524        0.023
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -310112,6 +309990,18 @@
 86: 
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
+86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+86: 
+86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+86: 
+86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+86: 
+86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: 
+86: This run will generate roughly 0 Mb of data
+86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
 86:   MTTK coupling is deprecated and will soon be removed
 86: 
@@ -310132,18 +310022,6 @@
 86: 
 86: 
 86: There were 5 NOTEs
-86: 
-86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-86: 
-86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: 
-86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-86: 
-86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: 
-86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -310160,7 +310038,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       97.1
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1187.012        0.020
+86: Performance:     1242.807        0.019
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -310180,6 +310058,16 @@
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+86: 
+86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+86: 
+86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+86: 
+86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: 
+86: This run will generate roughly 0 Mb of data
+86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
 86:   MTTK coupling is deprecated and will soon be removed
 86: 
@@ -310200,16 +310088,6 @@
 86: 
 86: 
 86: There were 5 NOTEs
-86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-86: 
-86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: 
-86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-86: 
-86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: 
-86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -310224,9 +310102,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.2
+86:        Time:        0.001        0.001       97.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1130.384        0.021
+86: Performance:     1165.675        0.021
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
 86: 
@@ -310246,6 +310124,16 @@
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+86: 
+86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+86: 
+86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+86: 
+86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: 
+86: This run will generate roughly 0 Mb of data
+86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
 86:   MTTK coupling is deprecated and will soon be removed
 86: 
@@ -310257,16 +310145,6 @@
 86: 
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-86: 
-86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: 
-86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-86: 
-86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: 
-86: This run will generate roughly 0 Mb of data
-86: 
 86: NOTE 5 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
 86:   COM removal frequency is set to (5).
 86:   Other settings require a global communication frequency of 2.
@@ -310290,9 +310168,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.2
+86:        Time:        0.001        0.001       97.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1145.518        0.021
+86: Performance:     1038.536        0.023
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
 86: 
@@ -310312,16 +310190,6 @@
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: 
-86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-86: 
-86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: 
-86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-86: 
-86: Note that mdrun will redetermine rlist based on the actual pair-list setup
-86: 
-86: This run will generate roughly 0 Mb of data
-86: 
 86: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
 86:   MTTK coupling is deprecated and will soon be removed
 86: 
@@ -310333,6 +310201,16 @@
 86: 
 86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
+86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+86: 
+86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+86: 
+86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+86: 
+86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: 
+86: This run will generate roughly 0 Mb of data
+86: 
 86: NOTE 5 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
 86:   COM removal frequency is set to (5).
 86:   Other settings require a global communication frequency of 2.
@@ -310356,12 +310234,12 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.4
+86:        Time:        0.001        0.001       97.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1150.653        0.021
+86: Performance:     1189.533        0.020
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/23 (32 ms)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/23 (31 ms)
 86: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/24
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_input.mdp]:
@@ -310378,9 +310256,6 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -310391,6 +310266,9 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -310405,9 +310283,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.4
+86:        Time:        0.001        0.001       97.6
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1234.341        0.019
+86: Performance:     1277.072        0.019
 86: 
 86: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_input.mdp]:
 86:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -310452,7 +310330,7 @@
 86:                Core t (s)   Wall t (s)        (%)
 86:        Time:        0.001        0.001       97.2
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1275.221        0.019
+86: Performance:     1341.301        0.018
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -310468,9 +310346,6 @@
 86: Generated 1 of the 1 non-bonded parameter combinations
 86: 
 86: Excluding 1 bonded neighbours molecule type 'Argon'
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 86: 
@@ -310481,6 +310356,9 @@
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 2 NOTEs
 86: 
 86: This run will generate roughly 0 Mb of data
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -310497,9 +310375,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.0
+86:        Time:        0.001        0.001       96.8
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1441.075        0.017
+86: Performance:     1390.653        0.017
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
 86: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -310518,6 +310396,9 @@
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
+86: 
+86: There were 2 NOTEs
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -310528,9 +310409,6 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -310545,9 +310423,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.1
+86:        Time:        0.001        0.001       97.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1423.099        0.017
+86: Performance:     1496.379        0.016
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
 86: 
@@ -310570,13 +310448,13 @@
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
 86: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 86: 
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -310593,9 +310471,9 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       95.3
+86:        Time:        0.001        0.001       97.4
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1428.378        0.017
+86: Performance:     1448.529        0.017
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
 86: 
@@ -310609,14 +310487,12 @@
 86:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 86:   setting nstcomm equal to nstcalcenergy for less overhead
 86: 
-86: Number of degrees of freedom in T-Coupling group System is 33.00
-86: 
-86: There were 2 NOTEs
 86: Generated 1 of the 1 non-bonded parameter combinations
 86: 
 86: Excluding 1 bonded neighbours molecule type 'Argon'
 86: 
 86: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+86: Number of degrees of freedom in T-Coupling group System is 33.00
 86: 
 86: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 86: 
@@ -310627,6 +310503,8 @@
 86: Note that mdrun will redetermine rlist based on the actual pair-list setup
 86: 
 86: This run will generate roughly 0 Mb of data
+86: 
+86: There were 2 NOTEs
 86: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 86: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 86: 
@@ -310641,18 +310519,18 @@
 86: Writing final coordinates.
 86: 
 86:                Core t (s)   Wall t (s)        (%)
-86:        Time:        0.001        0.001       97.1
+86:        Time:        0.001        0.001       97.0
 86:                  (ns/day)    (hour/ns)
-86: Performance:     1393.169        0.017
+86: Performance:     1422.770        0.017
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 86: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
-86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/24 (30 ms)
-86: [----------] 25 tests from PropagatorsWithCoupling/PeriodicActionsTest (744 ms total)
+86: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/24 (29 ms)
+86: [----------] 25 tests from PropagatorsWithCoupling/PeriodicActionsTest (707 ms total)
 86: 
 86: [----------] Global test environment tear-down
-86: [==========] 25 tests from 1 test suite ran. (753 ms total)
+86: [==========] 25 tests from 1 test suite ran. (718 ms total)
 86: [  PASSED  ] 25 tests.
-86/96 Test #86: MdrunCoordinationCouplingTests1Rank ..........   Passed    0.95 sec
+86/96 Test #86: MdrunCoordinationCouplingTests1Rank ..........   Passed    0.91 sec
 test 87
       Start 87: MdrunCoordinationCouplingTests2Ranks
 
@@ -310714,22 +310592,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 1.7%.
-87:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 0.7%.
-87: 
+87:  Average load imbalance: 4.9%.
+87:  The balanceable part of the MD step is 33%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 1.6%.
 87: 
-87: NOTE: 13 % of the run time was spent in domain decomposition,
-87:       2 % of the run time was spent in pair search,
-87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 34 % of the run time was spent communicating energies,
+87: NOTE: 43 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.008        0.004      193.4
+87:        Time:        0.007        0.003      196.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:      361.505        0.066
+87: Performance:      440.483        0.054
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -310745,6 +310619,12 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
+87:   NVE simulation: will use the initial temperature of 68.810 K for
+87:   determining the Verlet buffer size
+87: 
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
@@ -310753,12 +310633,6 @@
 87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 87: 
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
-87:   NVE simulation: will use the initial temperature of 68.810 K for
-87:   determining the Verlet buffer size
-87: 
 87: 
 87: This run will generate roughly 0 Mb of data
 87: 
@@ -310780,24 +310654,29 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 2.1%.
-87:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.1%.
+87:  DLB was turned on during the run due to measured imbalance.
+87:  Average load imbalance: 7.4%.
+87:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 3.3%.
+87:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 87: 
 87: 
-87: NOTE: 30 % of the run time was spent communicating energies,
+87: NOTE: 10 % of the run time was spent in domain decomposition,
+87:       4 % of the run time was spent in pair search,
+87:       you might want to increase nstlist (this has no effect on accuracy)
+87: 
+87: NOTE: 28 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      191.7
+87:        Time:        0.003        0.001      193.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:      959.818        0.025
+87: Performance:     1094.438        0.022
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-87: 
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
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Reading energy frame      4 time    0.004         
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Reading energy frame      7 time    0.007         
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Reading energy frame      9 time    0.009         
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Reading energy frame      7 time    0.007         
Reading energy frame     10 time    0.010         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     10 time    0.010         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     14 time    0.014         
Reading energy frame     12 time    0.012         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     15 time    0.015         
Last energy frame read 16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      0 time    0.000         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      0 time    0.000         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Last energy frame read 16 time    0.016         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -310807,6 +310686,12 @@
 87: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 87:   Setting nstcalcenergy (100) equal to nstenergy (4)
 87: 
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
+87:   NVE simulation: will use the initial temperature of 68.810 K for
+87:   determining the Verlet buffer size
+87: 
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
@@ -310821,14 +310706,6 @@
 87: 
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
-87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
-87:   NVE simulation: will use the initial temperature of 68.810 K for
-87:   determining the Verlet buffer size
-87: 
-87: 
 87: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 87:   COM removal frequency is set to (5).
 87:   Other settings require a global communication frequency of 4.
@@ -310838,6 +310715,8 @@
 87: 
 87: 
 87: There were 4 NOTEs
+87: 
+87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -310855,28 +310734,29 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 4.3%.
-87:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.8%.
+87:  DLB was turned on during the run due to measured imbalance.
+87:  Average load imbalance: 12.1%.
+87:  The balanceable part of the MD step is 38%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 4.6%.
+87:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 87: 
 87: 
-87: NOTE: 10 % of the run time was spent in domain decomposition,
+87: NOTE: 11 % of the run time was spent in domain decomposition,
 87:       5 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 29 % of the run time was spent communicating energies,
+87: NOTE: 25 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      189.7
+87:        Time:        0.002        0.001      191.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1307.288        0.018
+87: Performance:     1389.555        0.017
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
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Reading energy frame      2 time    0.008         
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Reading energy frame      7 time    0.007         
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Reading energy frame      3 time    0.012         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
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Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
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Reading energy frame      7 time    0.007         
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Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     16 time    0.016         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Last energy frame read 4 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 4 time    0.016         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -310935,26 +310815,32 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 4.6%.
-87:  The balanceable part of the MD step is 39%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.8%.
+87:  DLB was turned on during the run due to measured imbalance.
+87:  Average load imbalance: 20.2%.
+87:  The balanceable part of the MD step is 35%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 7.0%.
+87:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 87: 
+87: NOTE: 7.0 % of the available CPU time was lost due to load imbalance
+87:       in the domain decomposition.
+87:       You can consider manually changing the decomposition (option -dd);
+87:       e.g. by using fewer domains along the box dimension in which there is
+87:       considerable inhomogeneity in the simulated system.
 87: 
-87: NOTE: 10 % of the run time was spent in domain decomposition,
+87: NOTE: 11 % of the run time was spent in domain decomposition,
 87:       5 % of the run time was spent in pair search,
 87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 29 % of the run time was spent communicating energies,
+87: NOTE: 27 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      189.0
+87:        Time:        0.002        0.001      190.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1409.747        0.017
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
+87: Performance:     1200.661        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
@@ -310972,8 +310858,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
@@ -310981,14 +310865,6 @@
 87:   determining the Verlet buffer size
 87: 
 87: 
-87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-87: 
-87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-87: 
-87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: 
-87: This run will generate roughly 0 Mb of data
-87: 
 87: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 87:   COM removal frequency is set to (5).
 87:   Other settings require a global communication frequency of 100.
@@ -310998,6 +310874,16 @@
 87: 
 87: 
 87: There were 4 NOTEs
+87: 
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
+87: 
+87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: 
+87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+87: 
+87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: 
+87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -311015,19 +310901,24 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 2.6%.
-87:  The balanceable part of the MD step is 39%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.0%.
+87:  DLB was turned on during the run due to measured imbalance.
+87:  Average load imbalance: 11.6%.
+87:  The balanceable part of the MD step is 37%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 4.2%.
+87:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 87: 
 87: 
-87: NOTE: 31 % of the run time was spent communicating energies,
+87: NOTE: 11 % of the run time was spent in domain decomposition,
+87:       5 % of the run time was spent in pair search,
+87:       you might want to increase nstlist (this has no effect on accuracy)
+87: 
+87: NOTE: 28 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.0
+87:        Time:        0.002        0.001      190.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1401.887        0.017
+87: Performance:     1663.901        0.014
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
@@ -311046,6 +310937,18 @@
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
+87: 
+87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: 
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
+87: 
+87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: 
+87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+87: 
+87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: 
+87: This run will generate roughly 0 Mb of data
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
@@ -311062,18 +310965,6 @@
 87: 
 87: 
 87: There were 4 NOTEs
-87: 
-87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
-87: 
-87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-87: 
-87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-87: 
-87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: 
-87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -311091,24 +310982,29 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 4.4%.
-87:  The balanceable part of the MD step is 39%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.7%.
+87:  DLB was turned on during the run due to measured imbalance.
+87:  Average load imbalance: 9.8%.
+87:  The balanceable part of the MD step is 37%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 3.6%.
+87:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 87: 
 87: 
-87: NOTE: 31 % of the run time was spent communicating energies,
+87: NOTE: 11 % of the run time was spent in domain decomposition,
+87:       5 % of the run time was spent in pair search,
+87:       you might want to increase nstlist (this has no effect on accuracy)
+87: 
+87: NOTE: 28 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.0
+87:        Time:        0.002        0.001      190.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1428.378        0.017
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
+87: Performance:     1698.537        0.014
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriOpened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
+87: odicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (55 ms)
+87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (43 ms)
 87: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -311131,6 +311027,12 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
+87:   NVE simulation: will use the initial temperature of 68.810 K for
+87:   determining the Verlet buffer size
+87: 
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
@@ -311139,18 +311041,12 @@
 87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 87: 
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
-87:   NVE simulation: will use the initial temperature of 68.810 K for
-87:   determining the Verlet buffer size
-87: 
-87: 
-87: This run will generate roughly 0 Mb of data
 87: 
 87: There were 3 NOTEs
 87: 
 87: There was 1 WARNING
+87: 
+87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -311169,18 +311065,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 2.5%.
-87:  The balanceable part of the MD step is 54%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.4%.
+87:  Average load imbalance: 2.0%.
+87:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 1.0%.
 87: 
 87: 
 87: NOTE: 27 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      192.3
+87:        Time:        0.002        0.001      192.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1118.989        0.021
+87: Performance:     1261.254        0.019
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -311197,23 +311093,19 @@
 87:   and should not be used for new production simulations (in our opinion).
 87:   We recommend using the C-rescale barostat instead.
 87: 
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
-87:   NVE simulation: will use the initial temperature of 68.810 K for
-87:   determining the Verlet buffer size
-87: 
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
+87:   NVE simulation: will use the initial temperature of 68.810 K for
+87:   determining the Verlet buffer size
 87: 
-87: There were 3 NOTEs
 87: 
-87: There was 1 WARNING
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 87: 
@@ -311222,6 +311114,10 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: 
+87: There were 3 NOTEs
+87: 
+87: There was 1 WARNING
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -311239,25 +311135,28 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB was turned on during the run due to measured imbalance.
-87:  Average load imbalance: 9.6%.
-87:  The balanceable part of the MD step is 39%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 3.7%.
-87:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+87:  DLB was off during the run due to low measured imbalance.
+87:  Average load imbalance: 2.1%.
+87:  The balanceable part of the MD step is 27%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 87: 
 87: 
-87: NOTE: 32 % of the run time was spent communicating energies,
+87: NOTE: 33 % of the run time was spent in domain decomposition,
+87:       5 % of the run time was spent in pair search,
+87:       you might want to increase nstlist (this has no effect on accuracy)
+87: 
+87: NOTE: 21 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      195.0
+87:        Time:        0.002        0.001      194.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:      802.892        0.030
+87: Performance:     1143.073        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
+87: 
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      0 time    0.000         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame      3 time    0.003         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -311273,6 +311172,11 @@
 87:   and should not be used for new production simulations (in our opinion).
 87:   We recommend using the C-rescale barostat instead.
 87: 
+87: Generated 1 of the 1 non-bonded parameter combinations
+87: 
+87: Excluding 1 bonded neighbours molecule type 'Argon'
+87: 
+87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -311283,11 +311187,6 @@
 87: There were 3 NOTEs
 87: 
 87: There was 1 WARNING
-87: Generated 1 of the 1 non-bonded parameter combinations
-87: 
-87: Excluding 1 bonded neighbours molecule type 'Argon'
-87: 
-87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
@@ -311315,24 +311214,25 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 3.5%.
-87:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.6%.
+87:  DLB was turned on during the run due to measured imbalance.
+87:  Average load imbalance: 5.6%.
+87:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 2.4%.
+87:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 87: 
 87: 
-87: NOTE: 31 % of the run time was spent communicating energies,
+87: NOTE: 32 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      189.6
+87:        Time:        0.002        0.001      191.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1665.250        0.014
+87: Performance:     1553.940        0.015
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      0 time    0.000         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Last energy frame read 4 time    0.016         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -311391,19 +311291,20 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 3.1%.
-87:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.3%.
+87:  DLB was turned on during the run due to measured imbalance.
+87:  Average load imbalance: 5.5%.
+87:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 2.3%.
+87:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 87: 
 87: 
-87: NOTE: 34 % of the run time was spent communicating energies,
+87: NOTE: 37 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.5
+87:        Time:        0.002        0.001      192.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1535.350        0.016
+87: Performance:     1188.845        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
@@ -311430,6 +311331,12 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
+87:   NVE simulation: will use the initial temperature of 68.810 K for
+87:   determining the Verlet buffer size
+87: 
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
@@ -311440,12 +311347,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
-87:   NVE simulation: will use the initial temperature of 68.810 K for
-87:   determining the Verlet buffer size
-87: 
 87: 
 87: There were 3 NOTEs
 87: 
@@ -311467,23 +311368,24 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 4.1%.
-87:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.9%.
+87:  DLB was turned on during the run due to measured imbalance.
+87:  Average load imbalance: 5.1%.
+87:  The balanceable part of the MD step is 40%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 2.1%.
+87:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 87: 
 87: 
-87: NOTE: 33 % of the run time was spent communicating energies,
+87: NOTE: 32 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.4
+87:        Time:        0.002        0.001      190.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1584.515        0.015
+87: Performance:     1623.987        0.015
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -311506,6 +311408,10 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: 
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
+87: 
+87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -311513,18 +311419,14 @@
 87:   determining the Verlet buffer size
 87: 
 87: 
-87: There were 3 NOTEs
-87: 
-87: There was 1 WARNING
-87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
-87: 
-87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-87: 
 87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 87: 
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
+87: There were 3 NOTEs
+87: 
+87: There was 1 WARNING
+87: 
 87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
@@ -311544,23 +311446,23 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 3.9%.
-87:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.7%.
+87:  Average load imbalance: 2.9%.
+87:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 1.2%.
 87: 
 87: 
-87: NOTE: 36 % of the run time was spent communicating energies,
+87: NOTE: 32 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.7
+87:        Time:        0.002        0.001      190.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1537.074        0.016
+87: Performance:     1707.955        0.014
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriOpened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
-87: odicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
-87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (35 ms)
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
+87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (34 ms)
 87: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -311613,18 +311515,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 1.6%.
-87:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
+87:  Average load imbalance: 1.8%.
+87:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
 87:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 87: 
 87: 
-87: NOTE: 28 % of the run time was spent communicating energies,
+87: NOTE: 29 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.6
+87:        Time:        0.002        0.001      192.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1422.277        0.017
+87: Performance:     1363.114        0.018
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -311640,6 +311542,12 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
+87:   NVE simulation: will use the initial temperature of 68.810 K for
+87:   determining the Verlet buffer size
+87: 
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
@@ -311648,16 +311556,10 @@
 87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 87: 
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
-87:   NVE simulation: will use the initial temperature of 68.810 K for
-87:   determining the Verlet buffer size
 87: 
+87: This run will generate roughly 0 Mb of data
 87: 
 87: There were 3 NOTEs
-87: 
-87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -311676,27 +311578,23 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 2.6%.
-87:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.3%.
-87: 
+87:  Average load imbalance: 1.1%.
+87:  The balanceable part of the MD step is 32%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 87: 
-87: NOTE: 12 % of the run time was spent in domain decomposition,
-87:       4 % of the run time was spent in pair search,
-87:       you might want to increase nstlist (this has no effect on accuracy)
 87: 
-87: NOTE: 28 % of the run time was spent communicating energies,
+87: NOTE: 22 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.9
+87:        Time:        0.002        0.001      193.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1565.390        0.015
+87: Performance:     1147.438        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
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Reading energy frame      4 time    0.004         
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Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      3 time    0.003         
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Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      6 time    0.006         
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Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -311747,23 +311645,23 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 4.0%.
-87:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.8%.
+87:  Average load imbalance: 2.1%.
+87:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 1.0%.
 87: 
 87: 
-87: NOTE: 33 % of the run time was spent communicating energies,
+87: NOTE: 30 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.5
+87:        Time:        0.001        0.001      186.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1665.475        0.014
+87: Performance:     1889.463        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Last energy frame read 4 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -311779,6 +311677,8 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: 
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -311786,7 +311686,7 @@
 87:   determining the Verlet buffer size
 87: 
 87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
+87: There were 3 NOTEs
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 87: 
@@ -311795,8 +311695,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: 
-87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -311815,18 +311713,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 3.8%.
-87:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.6%.
+87:  Average load imbalance: 2.0%.
+87:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.8%.
 87: 
 87: 
-87: NOTE: 33 % of the run time was spent communicating energies,
+87: NOTE: 34 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
 87:        Time:        0.002        0.001      189.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1722.761        0.014
+87: Performance:     1728.319        0.014
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
@@ -311847,12 +311745,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
-87:   NVE simulation: will use the initial temperature of 68.810 K for
-87:   determining the Verlet buffer size
-87: 
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
@@ -311863,6 +311755,12 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
+87:   NVE simulation: will use the initial temperature of 68.810 K for
+87:   determining the Verlet buffer size
+87: 
 87: 
 87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -311883,18 +311781,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 3.7%.
-87:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.6%.
+87:  Average load imbalance: 2.3%.
+87:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 1.0%.
 87: 
 87: 
-87: NOTE: 34 % of the run time was spent communicating energies,
+87: NOTE: 38 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      189.5
+87:        Time:        0.002        0.001      193.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1731.720        0.014
+87: Performance:     1603.486        0.015
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
@@ -311910,14 +311808,6 @@
 87:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 87:   setting nstcomm equal to nstcalcenergy for less overhead
 87: 
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
-87:   NVE simulation: will use the initial temperature of 68.810 K for
-87:   determining the Verlet buffer size
-87: 
-87: 
-87: There were 3 NOTEs
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
@@ -311933,6 +311823,14 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
+87:   NVE simulation: will use the initial temperature of 68.810 K for
+87:   determining the Verlet buffer size
+87: 
+87: 
+87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -311951,18 +311849,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 3.7%.
-87:  The balanceable part of the MD step is 34%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.3%.
+87:  Average load imbalance: 2.4%.
+87:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 1.0%.
 87: 
 87: 
-87: NOTE: 31 % of the run time was spent communicating energies,
+87: NOTE: 35 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.0
+87:        Time:        0.002        0.001      190.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1494.383        0.016
+87: Performance:     1672.484        0.014
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
@@ -311984,6 +311882,14 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
+87:   NVE simulation: will use the initial temperature of 68.810 K for
+87:   determining the Verlet buffer size
+87: 
+87: 
+87: There were 3 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
@@ -311994,14 +311900,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
-87:   NVE simulation: will use the initial temperature of 68.810 K for
-87:   determining the Verlet buffer size
-87: 
-87: 
-87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -312019,19 +311917,20 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 1.8%.
-87:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 0.9%.
+87:  DLB was turned on during the run due to measured imbalance.
+87:  Average load imbalance: 4.1%.
+87:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 2.1%.
+87:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 87: 
 87: 
-87: NOTE: 29 % of the run time was spent communicating energies,
+87: NOTE: 28 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.9
+87:        Time:        0.002        0.001      192.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1410.231        0.017
+87: Performance:     1401.409        0.017
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -312047,6 +311946,12 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: 
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
+87: 
+87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: 
+87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -312056,12 +311961,6 @@
 87: 
 87: There were 3 NOTEs
 87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
-87: 
-87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-87: 
-87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-87: 
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
@@ -312083,8 +311982,8 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 1.7%.
-87:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
+87:  Average load imbalance: 2.0%.
+87:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
 87:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 87: 
 87: 
@@ -312092,14 +311991,14 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.9
+87:        Time:        0.002        0.001      191.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1551.787        0.015
+87: Performance:     1523.391        0.016
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
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Reading energy frame      4 time    0.004         
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Reading energy frame      5 time    0.005         
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Reading energy frame      7 time    0.007         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -312114,14 +312013,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
-87:   NVE simulation: will use the initial temperature of 68.810 K for
-87:   determining the Verlet buffer size
-87: 
-87: 
-87: There were 3 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
@@ -312132,6 +312023,14 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
+87:   NVE simulation: will use the initial temperature of 68.810 K for
+87:   determining the Verlet buffer size
+87: 
+87: 
+87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -312150,23 +312049,23 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 3.2%.
-87:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.5%.
+87:  Average load imbalance: 3.1%.
+87:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 1.4%.
 87: 
 87: 
-87: NOTE: 32 % of the run time was spent communicating energies,
+87: NOTE: 30 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      189.7
+87:        Time:        0.002        0.001      190.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1831.330        0.013
+87: Performance:     1619.291        0.015
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriOpened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         odicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
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Reading energy frame      1 time    0.001         
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Reading energy frame      2 time    0.008         
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Reading energy frame      5 time    0.005         
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Reading energy frame      7 time    0.007         
Reading energy frame      5 time    0.005         
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Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -312177,14 +312076,6 @@
 87:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 87:   setting nstcomm equal to nstcalcenergy for less overhead
 87: 
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
-87:   NVE simulation: will use the initial temperature of 68.810 K for
-87:   determining the Verlet buffer size
-87: 
-87: 
-87: There were 3 NOTEs
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
@@ -312200,6 +312091,14 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
+87:   NVE simulation: will use the initial temperature of 68.810 K for
+87:   determining the Verlet buffer size
+87: 
+87: 
+87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -312218,18 +312117,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 4.0%.
-87:  The balanceable part of the MD step is 34%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.3%.
+87:  Average load imbalance: 4.3%.
+87:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 1.8%.
 87: 
 87: 
-87: NOTE: 34 % of the run time was spent communicating energies,
+87: NOTE: 33 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.0
+87:        Time:        0.002        0.001      190.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1496.198        0.016
+87: Performance:     1715.087        0.014
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
@@ -312250,14 +312149,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
-87:   NVE simulation: will use the initial temperature of 68.810 K for
-87:   determining the Verlet buffer size
-87: 
-87: 
-87: There were 3 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
@@ -312268,6 +312159,14 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
+87:   NVE simulation: will use the initial temperature of 68.810 K for
+87:   determining the Verlet buffer size
+87: 
+87: 
+87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -312286,18 +312185,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 2.6%.
-87:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.1%.
+87:  Average load imbalance: 2.2%.
+87:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 1.0%.
 87: 
 87: 
 87: NOTE: 34 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.0
+87:        Time:        0.002        0.001      190.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1746.448        0.014
+87: Performance:     1752.160        0.014
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
@@ -312318,14 +312217,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
-87: 
-87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-87: 
-87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-87: 
-87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -312335,6 +312226,14 @@
 87: 
 87: There were 3 NOTEs
 87: 
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
+87: 
+87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: 
+87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+87: 
+87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: 
 87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
@@ -312354,23 +312253,23 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 3.6%.
-87:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.5%.
+87:  Average load imbalance: 2.7%.
+87:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 1.1%.
 87: 
 87: 
-87: NOTE: 34 % of the run time was spent communicating energies,
+87: NOTE: 33 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.0
+87:        Time:        0.002        0.001      190.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1692.703        0.014
+87: Performance:     1629.787        0.015
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
-87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (29 ms)
+87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (30 ms)
 87: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -312387,19 +312286,19 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 87: 
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: 
-87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -312420,9 +312319,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.4
+87:        Time:        0.002        0.001      191.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1594.769        0.015
+87: Performance:     1560.039        0.015
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -312433,12 +312332,14 @@
 87: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 87:   Setting nstcalcenergy (100) equal to nstenergy (1)
 87: 
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -312449,8 +312350,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: 
-87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -312467,18 +312366,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 42 % of the run time was spent communicating energies,
+87: NOTE: 32 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.9
+87:        Time:        0.001        0.001      189.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1474.355        0.016
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
+87: Performance:     1864.586        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
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Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
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Reading energy frame     16 time    0.016         
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Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -312488,6 +312387,17 @@
 87: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 87:   Setting nstcalcenergy (100) equal to nstenergy (4)
 87: 
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
+87:   COM removal frequency is set to (5).
+87:   Other settings require a global communication frequency of 2.
+87:   Note that this will require additional global communication steps,
+87:   which will reduce performance when using multiple ranks.
+87:   Consider setting nstcomm to a multiple of 2.
+87: 
+87: 
+87: There were 3 NOTEs
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
@@ -312503,17 +312413,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
-87:   COM removal frequency is set to (5).
-87:   Other settings require a global communication frequency of 2.
-87:   Note that this will require additional global communication steps,
-87:   which will reduce performance when using multiple ranks.
-87:   Consider setting nstcomm to a multiple of 2.
-87: 
-87: 
-87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -312534,14 +312433,14 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      189.5
+87:        Time:        0.001        0.001      189.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     2027.845        0.012
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
+87: Performance:     1931.221        0.012
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriOpened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
+87: odicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
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Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -312594,13 +312493,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 35 % of the run time was spent communicating energies,
+87: NOTE: 36 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      188.7
+87:        Time:        0.002        0.001      190.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     2062.814        0.012
+87: Performance:     1622.063        0.015
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
@@ -312623,16 +312522,6 @@
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-87: 
-87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-87: 
-87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-87: 
-87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: 
-87: This run will generate roughly 0 Mb of data
-87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 87:   COM removal frequency is set to (5).
 87:   Other settings require a global communication frequency of 2.
@@ -312642,6 +312531,16 @@
 87: 
 87: 
 87: There were 3 NOTEs
+87: 
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+87: 
+87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: 
+87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+87: 
+87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: 
+87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -312662,9 +312561,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      188.8
+87:        Time:        0.001        0.001      189.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1986.327        0.012
+87: Performance:     1924.885        0.012
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
@@ -312685,16 +312584,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-87: 
-87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-87: 
-87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-87: 
-87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: 
-87: This run will generate roughly 0 Mb of data
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -312706,6 +312595,16 @@
 87: 
 87: 
 87: There were 3 NOTEs
+87: 
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+87: 
+87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: 
+87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+87: 
+87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: 
+87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -312726,14 +312625,14 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      186.0
+87:        Time:        0.001        0.001      189.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1917.396        0.013
+87: Performance:     2073.925        0.012
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
-87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (29 ms)
+87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (30 ms)
 87: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
@@ -312756,6 +312655,11 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
+87: 
+87: There was 1 WARNING
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -312766,11 +312670,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
-87: 
-87: There was 1 WARNING
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -312787,13 +312686,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 29 % of the run time was spent communicating energies,
+87: NOTE: 30 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.9
+87:        Time:        0.002        0.001      191.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1544.008        0.016
+87: Performance:     1487.168        0.016
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -312815,6 +312714,11 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
+87: 
+87: There was 1 WARNING
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -312825,11 +312729,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
-87: 
-87: There was 1 WARNING
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -312850,14 +312749,14 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.5
+87:        Time:        0.002        0.001      190.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1681.844        0.014
+87: Performance:     1641.512        0.015
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
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Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
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Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
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Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -312909,18 +312808,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 34 % of the run time was spent communicating energies,
+87: NOTE: 33 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
 87:        Time:        0.001        0.001      189.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1937.294        0.012
+87: Performance:     1983.130        0.012
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.004         
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Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
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Reading energy frame      3 time    0.012         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -312942,6 +312841,11 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
+87: 
+87: There was 1 WARNING
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -312952,11 +312856,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
-87: 
-87: There was 1 WARNING
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -312977,9 +312876,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      189.1
+87:        Time:        0.001        0.001      189.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1832.419        0.013
+87: Performance:     1921.882        0.012
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
@@ -313008,7 +312907,6 @@
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 87: 
@@ -313017,6 +312915,7 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: There were 2 NOTEs
 87: 
@@ -313037,13 +312936,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 36 % of the run time was spent communicating energies,
+87: NOTE: 37 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      186.8
+87:        Time:        0.001        0.001      188.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1822.661        0.013
+87: Performance:     1868.829        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
@@ -313072,7 +312971,6 @@
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 87: 
@@ -313081,6 +312979,7 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: There were 2 NOTEs
 87: 
@@ -313101,13 +313000,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 35 % of the run time was spent communicating energies,
+87: NOTE: 36 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      189.4
+87:        Time:        0.002        0.001      189.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1733.182        0.014
+87: Performance:     1796.877        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
@@ -313158,13 +313057,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 29 % of the run time was spent communicating energies,
+87: NOTE: 28 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.3
+87:        Time:        0.002        0.001      191.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1565.987        0.015
+87: Performance:     1534.777        0.016
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -313180,9 +313079,11 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 87: 
@@ -313191,8 +313092,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: 
-87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -313213,14 +313112,14 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.1
+87:        Time:        0.002        0.001      190.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1539.956        0.016
+87: Performance:     1728.077        0.014
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Last energy frame read 16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -313230,9 +313129,6 @@
 87: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 87:   Setting nstcalcenergy (100) equal to nstenergy (4)
 87: 
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
@@ -313248,6 +313144,9 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -313264,18 +313163,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 34 % of the run time was spent communicating energies,
+87: NOTE: 33 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      189.7
+87:        Time:        0.001        0.001      187.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1853.368        0.013
+87: Performance:     1970.759        0.012
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -313291,6 +313190,9 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -313301,9 +313203,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -313320,16 +313219,20 @@
 87: 
 87: Writing final coordinates.
 87: 
+87: NOTE: 3 % of the run time was spent in domain decomposition,
+87:       10 % of the run time was spent in pair search,
+87:       you might want to increase nstlist (this has no effect on accuracy)
+87: 
 87: NOTE: 37 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      189.1
+87:        Time:        0.002        0.001      190.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1822.122        0.013
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
+87: Performance:     1596.629        0.015
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
@@ -313355,11 +313258,11 @@
 87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 87: 
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: 
-87: This run will generate roughly 0 Mb of data
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: There were 2 NOTEs
+87: 
+87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -313376,13 +313279,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 36 % of the run time was spent communicating energies,
+87: NOTE: 35 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      188.9
+87:        Time:        0.001        0.001      189.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1904.651        0.013
+87: Performance:     1907.009        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
@@ -313403,11 +313306,9 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 87: 
@@ -313416,6 +313317,8 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: 
+87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -313432,18 +313335,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 36 % of the run time was spent communicating energies,
+87: NOTE: 34 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      189.6
+87:        Time:        0.001        0.001      190.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1832.965        0.013
+87: Performance:     1880.523        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
-87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (30 ms)
+87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (29 ms)
 87: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -313455,10 +313358,12 @@
 87: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 87:   Setting nstcalcenergy (100) equal to nstenergy (1)
 87: 
-87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: 
@@ -313471,8 +313376,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: 
-87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -313493,9 +313396,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.3
+87:        Time:        0.002        0.001      191.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1378.209        0.017
+87: Performance:     1576.607        0.015
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -313509,12 +313412,12 @@
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
+87: 
+87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: There were 2 NOTEs
 87: 
-87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -313540,18 +313443,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 31 % of the run time was spent communicating energies,
+87: NOTE: 29 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.3
+87:        Time:        0.002        0.001      191.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1757.408        0.014
+87: Performance:     1582.480        0.015
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
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Reading energy frame      4 time    0.004         
Reading energy frame      1 time    0.001         
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Reading energy frame      3 time    0.003         
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Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
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Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -313599,14 +313502,14 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      189.2
+87:        Time:        0.001        0.001      188.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1996.951        0.012
+87: Performance:     2048.751        0.012
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -313651,13 +313554,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 35 % of the run time was spent communicating energies,
+87: NOTE: 37 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      189.4
+87:        Time:        0.001        0.001      189.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1817.821        0.013
+87: Performance:     1925.486        0.012
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
@@ -313678,6 +313581,7 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -313688,7 +313592,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -313711,9 +313614,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      184.7
+87:        Time:        0.001        0.001      189.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1889.463        0.013
+87: Performance:     1923.983        0.012
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
@@ -313734,11 +313637,9 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 87: 
@@ -313747,6 +313648,8 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: 
+87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -313767,9 +313670,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      188.6
+87:        Time:        0.002        0.001      190.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1865.433        0.013
+87: Performance:     1817.552        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
@@ -313796,7 +313699,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -313807,6 +313709,7 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -313825,13 +313728,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 31 % of the run time was spent communicating energies,
+87: NOTE: 29 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.2
+87:        Time:        0.002        0.001      191.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1552.960        0.015
+87: Performance:     1612.932        0.015
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -313852,9 +313755,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 3 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -313865,6 +313765,9 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -313881,18 +313784,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 32 % of the run time was spent communicating energies,
+87: NOTE: 31 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.4
+87:        Time:        0.001        0.001      190.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1779.233        0.013
+87: Performance:     1867.979        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -313912,6 +313815,16 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: 
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+87: 
+87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: 
+87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+87: 
+87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: 
+87: This run will generate roughly 0 Mb of data
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
@@ -313923,16 +313836,6 @@
 87: 
 87: 
 87: There were 4 NOTEs
-87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-87: 
-87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-87: 
-87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-87: 
-87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: 
-87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -313949,18 +313852,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 32 % of the run time was spent communicating energies,
+87: NOTE: 31 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      188.9
+87:        Time:        0.001        0.001      190.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:     2115.589        0.011
+87: Performance:     2109.070        0.011
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Last energy frame read 4 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -313981,18 +313884,8 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-87: 
-87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-87: 
-87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-87: 
-87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
-87: This run will generate roughly 0 Mb of data
-87: 
 87: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 87:   COM removal frequency is set to (5).
 87:   Other settings require a global communication frequency of 2.
@@ -314002,6 +313895,16 @@
 87: 
 87: 
 87: There were 4 NOTEs
+87: 
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+87: 
+87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: 
+87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+87: 
+87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: 
+87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -314018,13 +313921,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 36 % of the run time was spent communicating energies,
+87: NOTE: 37 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      189.1
+87:        Time:        0.001        0.001      190.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1986.647        0.012
+87: Performance:     1950.172        0.012
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
@@ -314050,16 +313953,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-87: 
-87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-87: 
-87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-87: 
-87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: 
-87: This run will generate roughly 0 Mb of data
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
@@ -314071,6 +313964,16 @@
 87: 
 87: 
 87: There were 4 NOTEs
+87: 
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+87: 
+87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: 
+87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+87: 
+87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: 
+87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -314087,17 +313990,17 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 36 % of the run time was spent communicating energies,
+87: NOTE: 35 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      188.4
+87:        Time:        0.001        0.001      189.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1992.108        0.012
+87: Performance:     1915.012        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -314121,16 +314024,6 @@
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
-87: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
-87:   COM removal frequency is set to (5).
-87:   Other settings require a global communication frequency of 2.
-87:   Note that this will require additional global communication steps,
-87:   which will reduce performance when using multiple ranks.
-87:   Consider setting nstcomm to a multiple of 2.
-87: 
-87: 
-87: There were 4 NOTEs
-87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -314140,6 +314033,16 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: 
+87: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
+87:   COM removal frequency is set to (5).
+87:   Other settings require a global communication frequency of 2.
+87:   Note that this will require additional global communication steps,
+87:   which will reduce performance when using multiple ranks.
+87:   Consider setting nstcomm to a multiple of 2.
+87: 
+87: 
+87: There were 4 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -314160,9 +314063,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      189.1
+87:        Time:        0.001        0.001      189.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1996.951        0.012
+87: Performance:     2041.960        0.012
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
@@ -314193,14 +314096,14 @@
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
-87: 
-87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: There were 3 NOTEs
 87: 
 87: There was 1 WARNING
 87: 
+87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -314226,13 +314129,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 29 % of the run time was spent communicating energies,
+87: NOTE: 31 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.9
+87:        Time:        0.002        0.001      191.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1512.359        0.016
+87: Performance:     1519.633        0.016
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -314259,11 +314162,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 3 NOTEs
-87: 
-87: There was 1 WARNING
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -314274,6 +314172,11 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 3 NOTEs
+87: 
+87: There was 1 WARNING
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -314290,18 +314193,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 31 % of the run time was spent communicating energies,
+87: NOTE: 32 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.2
+87:        Time:        0.002        0.001      190.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1712.703        0.014
+87: Performance:     1785.679        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
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Reading energy frame      3 time    0.003         
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Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -314327,7 +314230,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -314338,6 +314240,7 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: There were 3 NOTEs
 87: 
@@ -314358,18 +314261,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 34 % of the run time was spent communicating energies,
+87: NOTE: 32 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      189.1
+87:        Time:        0.001        0.001      187.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1958.542        0.012
+87: Performance:     1908.191        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
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Reading energy frame      4 time    0.004         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -314403,10 +314306,10 @@
 87: 
 87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 87: 
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: There were 3 NOTEs
 87: 
@@ -314427,13 +314330,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 36 % of the run time was spent communicating energies,
+87: NOTE: 35 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      188.6
+87:        Time:        0.001        0.001      189.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1840.632        0.013
+87: Performance:     1882.822        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
@@ -314465,6 +314368,11 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 3 NOTEs
+87: 
+87: There was 1 WARNING
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -314475,11 +314383,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 3 NOTEs
-87: 
-87: There was 1 WARNING
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -314500,9 +314403,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      189.2
+87:        Time:        0.001        0.001      189.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1900.538        0.013
+87: Performance:     1856.999        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
@@ -314536,10 +314439,6 @@
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
-87: There were 3 NOTEs
-87: 
-87: There was 1 WARNING
-87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -314549,6 +314448,10 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: 
+87: There were 3 NOTEs
+87: 
+87: There was 1 WARNING
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -314565,13 +314468,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 36 % of the run time was spent communicating energies,
+87: NOTE: 35 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      189.4
+87:        Time:        0.001        0.001      189.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1832.419        0.013
+87: Performance:     1909.965        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
@@ -314600,8 +314503,6 @@
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
-87: There were 3 NOTEs
-87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -314611,6 +314512,8 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: 
+87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -314627,13 +314530,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 30 % of the run time was spent communicating energies,
+87: NOTE: 39 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.0
+87:        Time:        0.002        0.001      191.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1504.602        0.016
+87: Performance:     1230.396        0.020
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -314658,15 +314561,15 @@
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
-87: There were 3 NOTEs
-87: 
 87: This run will generate roughly 0 Mb of data
+87: 
+87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -314683,18 +314586,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 32 % of the run time was spent communicating energies,
+87: NOTE: 33 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      189.7
+87:        Time:        0.002        0.001      189.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1696.199        0.014
+87: Performance:     1620.569        0.015
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -314743,18 +314646,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 33 % of the run time was spent communicating energies,
+87: NOTE: 32 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      188.8
+87:        Time:        0.001        0.001      189.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1983.130        0.012
+87: Performance:     1954.503        0.012
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      1 time    0.001         
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Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
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Reading energy frame      2 time    0.008         
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Reading energy frame      6 time    0.006         
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Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -314777,8 +314680,6 @@
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
-87: There were 3 NOTEs
-87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -314788,6 +314689,8 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: 
+87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -314804,13 +314707,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 37 % of the run time was spent communicating energies,
+87: NOTE: 32 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      189.2
+87:        Time:        0.002        0.001      190.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1814.608        0.013
+87: Performance:     1619.717        0.015
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
@@ -314834,6 +314737,9 @@
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 3 NOTEs
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: 
@@ -314846,9 +314752,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -314865,13 +314768,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 37 % of the run time was spent communicating energies,
+87: NOTE: 36 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      188.9
+87:        Time:        0.001        0.001      189.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1841.457        0.013
+87: Performance:     1973.284        0.012
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
@@ -314892,14 +314795,14 @@
 87:   leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to
 87:   1
 87: 
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 3 NOTEs
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 3 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -314926,18 +314829,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 36 % of the run time was spent communicating energies,
+87: NOTE: 37 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      188.7
+87:        Time:        0.002        0.001      189.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1891.493        0.013
+87: Performance:     1796.091        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
-87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (29 ms)
+87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (30 ms)
 87: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
@@ -314992,9 +314895,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.1
+87:        Time:        0.002        0.001      191.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1560.039        0.015
+87: Performance:     1397.435        0.017
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -315010,6 +314913,9 @@
 87:   leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to
 87:   1
 87: 
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 3 NOTEs
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
@@ -315025,9 +314931,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -315044,18 +314947,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 30 % of the run time was spent communicating energies,
+87: NOTE: 31 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      189.8
+87:        Time:        0.002        0.001      190.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1703.233        0.014
+87: Performance:     1742.989        0.014
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
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Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
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Reading energy frame      3 time    0.003         
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Reading energy frame      4 time    0.004         
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Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -315075,9 +314978,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 3 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -315088,6 +314988,9 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -315104,18 +315007,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 33 % of the run time was spent communicating energies,
+87: NOTE: 32 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      188.8
+87:        Time:        0.001        0.001      187.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1930.313        0.012
+87: Performance:     1901.124        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
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Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -315136,6 +315039,7 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -315146,7 +315050,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -315165,13 +315068,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 40 % of the run time was spent communicating energies,
+87: NOTE: 37 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.4
+87:        Time:        0.002        0.001      189.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1382.539        0.017
+87: Performance:     1798.451        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
@@ -315197,9 +315100,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 3 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -315210,6 +315110,9 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -315226,13 +315129,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 36 % of the run time was spent communicating energies,
+87: NOTE: 37 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      187.1
+87:        Time:        0.002        0.001      186.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1807.951        0.013
+87: Performance:     1694.799        0.014
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
@@ -315258,9 +315161,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 3 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -315271,6 +315171,9 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -315287,18 +315190,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 36 % of the run time was spent communicating energies,
+87: NOTE: 34 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      188.5
+87:        Time:        0.002        0.001      189.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1881.097        0.013
+87: Performance:     1723.484        0.014
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
-87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (30 ms)
+87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (31 ms)
 87: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
@@ -315313,14 +315216,12 @@
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 87: 
 87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
@@ -315328,6 +315229,8 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: 
+87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -315344,13 +315247,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 31 % of the run time was spent communicating energies,
+87: NOTE: 30 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.3
+87:        Time:        0.002        0.001      192.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1509.395        0.016
+87: Performance:     1547.693        0.016
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -315395,18 +315298,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 32 % of the run time was spent communicating energies,
+87: NOTE: 33 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.7
+87:        Time:        0.002        0.001      187.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1712.703        0.014
+87: Performance:     1744.964        0.014
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
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Reading energy frame      2 time    0.002         
Reading energy frame      0 time    0.000         
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Reading energy frame      1 time    0.001         
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Reading energy frame      3 time    0.003         
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Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Last energy frame read 16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -315425,14 +315328,6 @@
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
-87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-87: 
-87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-87: 
-87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: 
-87: This run will generate roughly 0 Mb of data
-87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 87:   COM removal frequency is set to (5).
 87:   Other settings require a global communication frequency of 4.
@@ -315442,6 +315337,14 @@
 87: 
 87: 
 87: There were 3 NOTEs
+87: 
+87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: 
+87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+87: 
+87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: 
+87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -315458,18 +315361,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 31 % of the run time was spent communicating energies,
+87: NOTE: 32 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      187.8
+87:        Time:        0.001        0.001      189.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     2007.689        0.012
+87: Performance:     1910.558        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -315483,17 +315386,6 @@
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
-87:   COM removal frequency is set to (5).
-87:   Other settings require a global communication frequency of 100.
-87:   Note that this will require additional global communication steps,
-87:   which will reduce performance when using multiple ranks.
-87:   Consider setting nstcomm to a multiple of 100.
-87: 
-87: 
-87: There were 3 NOTEs
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: 
@@ -315506,6 +315398,17 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
+87:   COM removal frequency is set to (5).
+87:   Other settings require a global communication frequency of 100.
+87:   Note that this will require additional global communication steps,
+87:   which will reduce performance when using multiple ranks.
+87:   Consider setting nstcomm to a multiple of 100.
+87: 
+87: 
+87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -315526,13 +315429,13 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      189.7
+87:        Time:        0.001        0.001      190.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:     2005.075        0.012
+87: Performance:     1908.191        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -315549,16 +315452,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-87: 
-87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-87: 
-87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-87: 
-87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: 
-87: This run will generate roughly 0 Mb of data
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
@@ -315570,6 +315463,16 @@
 87: 
 87: 
 87: There were 3 NOTEs
+87: 
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+87: 
+87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: 
+87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+87: 
+87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: 
+87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -315586,13 +315489,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 31 % of the run time was spent communicating energies,
+87: NOTE: 32 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      189.8
+87:        Time:        0.001        0.001      190.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1973.917        0.012
+87: Performance:     2053.189        0.012
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
@@ -315613,16 +315516,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-87: 
-87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-87: 
-87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-87: 
-87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: 
-87: This run will generate roughly 0 Mb of data
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
@@ -315634,6 +315527,16 @@
 87: 
 87: 
 87: There were 3 NOTEs
+87: 
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+87: 
+87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: 
+87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+87: 
+87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: 
+87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -315650,18 +315553,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 35 % of the run time was spent communicating energies,
+87: NOTE: 33 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.3
+87:        Time:        0.001        0.001      191.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1766.478        0.014
+87: Performance:     1882.534        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
-87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (29 ms)
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
+87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (30 ms)
 87: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
@@ -315684,11 +315587,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
-87: 
-87: There was 1 WARNING
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -315699,6 +315597,11 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
+87: 
+87: There was 1 WARNING
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -315715,13 +315618,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 31 % of the run time was spent communicating energies,
+87: NOTE: 30 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.7
+87:        Time:        0.002        0.001      192.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1495.290        0.016
+87: Performance:     1546.722        0.016
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -315743,20 +315646,20 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 87: 
 87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
-87: There were 2 NOTEs
+87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
-87: There was 1 WARNING
 87: 
-87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: There were 2 NOTEs
 87: 
+87: There was 1 WARNING
 87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
@@ -315774,18 +315677,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 32 % of the run time was spent communicating energies,
+87: NOTE: 33 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.1
+87:        Time:        0.002        0.001      191.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1695.498        0.014
+87: Performance:     1619.717        0.015
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 87: 
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
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Reading energy frame      1 time    0.001         
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Reading energy frame      4 time    0.004         
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Reading energy frame      5 time    0.005         
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Reading energy frame      7 time    0.007         
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Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -315837,18 +315740,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 33 % of the run time was spent communicating energies,
+87: NOTE: 34 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      189.8
+87:        Time:        0.002        0.001      184.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1958.853        0.012
+87: Performance:     1758.662        0.014
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
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Reading energy frame      2 time    0.008         
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Reading energy frame      2 time    0.008         
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Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
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Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
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Reading energy frame      5 time    0.005         
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Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
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Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -315865,16 +315768,12 @@
 87:   and should not be used for new production simulations (in our opinion).
 87:   We recommend using the C-rescale barostat instead.
 87: 
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
-87: 
-87: There was 1 WARNING
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -315885,6 +315784,10 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: 
+87: There were 2 NOTEs
+87: 
+87: There was 1 WARNING
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -315901,16 +315804,16 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 37 % of the run time was spent communicating energies,
+87: NOTE: 34 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.0
+87:        Time:        0.001        0.001      190.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1819.431        0.013
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
+87: Performance:     1894.984        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
@@ -315965,13 +315868,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 37 % of the run time was spent communicating energies,
+87: NOTE: 36 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.0
+87:        Time:        0.001        0.001      190.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1805.302        0.013
+87: Performance:     1902.005        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
@@ -316029,13 +315932,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 36 % of the run time was spent communicating energies,
+87: NOTE: 37 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      189.8
+87:        Time:        0.002        0.001      189.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1926.992        0.012
+87: Performance:     1813.273        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
@@ -316057,9 +315960,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -316070,6 +315970,9 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -316086,13 +315989,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 30 % of the run time was spent communicating energies,
+87: NOTE: 32 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.2
+87:        Time:        0.002        0.001      188.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1519.446        0.016
+87: Performance:     1382.074        0.017
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -316137,18 +316040,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 31 % of the run time was spent communicating energies,
+87: NOTE: 33 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.4
+87:        Time:        0.002        0.001      190.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1661.209        0.014
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
+87: Performance:     1619.930        0.015
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
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Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
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Reading energy frame      3 time    0.003         
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Reading energy frame      3 time    0.003         
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Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
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Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -316192,18 +316095,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 35 % of the run time was spent communicating energies,
+87: NOTE: 33 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      190.4
+87:        Time:        0.001        0.001      190.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1882.247        0.013
+87: Performance:     1945.246        0.012
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
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Reading energy frame      7 time    0.007         
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Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
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Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      4 time    0.004         
Reading energy frame      8 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      8 time    0.008         
Reading energy frame     12 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Last energy frame read 4 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -316219,6 +316122,7 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -316229,7 +316133,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -316248,13 +316151,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 37 % of the run time was spent communicating energies,
+87: NOTE: 36 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.1
+87:        Time:        0.002        0.001      190.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1840.907        0.013
+87: Performance:     1750.915        0.014
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
@@ -316277,8 +316180,6 @@
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
-87: There were 2 NOTEs
-87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -316288,6 +316189,8 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: 
+87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -316304,13 +316207,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 37 % of the run time was spent communicating energies,
+87: NOTE: 35 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.4
+87:        Time:        0.002        0.001      190.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1830.514        0.013
+87: Performance:     1776.411        0.014
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
@@ -316331,9 +316234,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -316344,6 +316244,9 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -316360,18 +316263,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 36 % of the run time was spent communicating energies,
+87: NOTE: 35 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.4
+87:        Time:        0.002        0.001      190.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1803.189        0.013
+87: Performance:     1759.667        0.014
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
-87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (29 ms)
+87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (31 ms)
 87: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
@@ -316417,13 +316320,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 31 % of the run time was spent communicating energies,
+87: NOTE: 30 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      192.2
+87:        Time:        0.002        0.001      187.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1503.317        0.016
+87: Performance:     1489.325        0.016
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -316434,14 +316337,12 @@
 87: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
 87:   Setting nstcalcenergy (100) equal to nstenergy (1)
 87: 
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -316452,6 +316353,8 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: 
+87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -316468,18 +316371,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 32 % of the run time was spent communicating energies,
+87: NOTE: 31 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.9
+87:        Time:        0.002        0.001      192.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1744.716        0.014
+87: Performance:     1602.027        0.015
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      6 time    0.006         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     16 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -316489,9 +316392,6 @@
 87: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
 87:   Setting nstcalcenergy (100) equal to nstenergy (4)
 87: 
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
@@ -316507,6 +316407,9 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -316523,18 +316426,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 34 % of the run time was spent communicating energies,
+87: NOTE: 33 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      190.1
+87:        Time:        0.001        0.001      190.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1951.408        0.012
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
+87: Performance:     1953.264        0.012
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -316545,9 +316448,6 @@
 87:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 87:   setting nstcomm equal to nstcalcenergy for less overhead
 87: 
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
@@ -316563,6 +316463,9 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -316579,13 +316482,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 30 % of the run time was spent communicating energies,
+87: NOTE: 36 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      191.9
+87:        Time:        0.002        0.001      190.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1438.551        0.017
+87: Performance:     1782.837        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
@@ -316604,9 +316507,11 @@
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -316617,8 +316522,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: 
-87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -316639,9 +316542,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      190.3
+87:        Time:        0.002        0.001      191.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1770.540        0.014
+87: Performance:     1683.452        0.014
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
@@ -316668,8 +316571,8 @@
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 87: 
 87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
@@ -316695,9 +316598,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.001        0.001      189.8
+87:        Time:        0.001        0.001      190.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1861.207        0.013
+87: Performance:     1878.230        0.013
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
@@ -316755,18 +316658,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 0.4%.
+87:  Average load imbalance: 0.8%.
 87:  The balanceable part of the MD step is 62%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 0.3%.
+87:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 87: 
 87: 
-87: NOTE: 26 % of the run time was spent communicating energies,
+87: NOTE: 23 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
 87:        Time:        0.003        0.001      188.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:      998.314        0.024
+87: Performance:     1020.304        0.024
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -316782,6 +316685,14 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
+87:   NVE simulation: will use the initial temperature of 68.810 K for
+87:   determining the Verlet buffer size
+87: 
+87: 
+87: There were 3 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
@@ -316792,14 +316703,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
-87:   NVE simulation: will use the initial temperature of 68.810 K for
-87:   determining the Verlet buffer size
-87: 
-87: 
-87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -316818,23 +316721,23 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 1.3%.
-87:  The balanceable part of the MD step is 60%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+87:  Average load imbalance: 2.5%.
+87:  The balanceable part of the MD step is 58%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 1.4%.
 87: 
 87: 
-87: NOTE: 27 % of the run time was spent communicating energies,
+87: NOTE: 26 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      186.1
+87:        Time:        0.003        0.001      189.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1125.120        0.021
+87: Performance:     1067.509        0.022
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
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Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -316844,27 +316747,12 @@
 87: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
 87:   Setting nstcalcenergy (100) equal to nstenergy (4)
 87: 
-87: Generated 1 of the 1 non-bonded parameter combinations
-87: 
-87: Excluding 1 bonded neighbours molecule type 'Argon'
-87: 
-87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
-87: 
-87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-87: 
-87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-87: 
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
 87:   NVE simulation: will use the initial temperature of 68.810 K for
 87:   determining the Verlet buffer size
 87: 
-87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: 
-87: This run will generate roughly 0 Mb of data
 87: 
 87: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
 87:   COM removal frequency is set to (5).
@@ -316875,6 +316763,21 @@
 87: 
 87: 
 87: There were 4 NOTEs
+87: Generated 1 of the 1 non-bonded parameter combinations
+87: 
+87: Excluding 1 bonded neighbours molecule type 'Argon'
+87: 
+87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: 
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
+87: 
+87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: 
+87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+87: 
+87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: 
+87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -316893,23 +316796,23 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 2.4%.
-87:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.2%.
+87:  Average load imbalance: 1.1%.
+87:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 87: 
 87: 
-87: NOTE: 26 % of the run time was spent communicating energies,
+87: NOTE: 24 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      185.7
+87:        Time:        0.002        0.001      185.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1319.750        0.018
+87: Performance:     1232.858        0.019
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame      4 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -316969,18 +316872,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 1.9%.
-87:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+87:  Average load imbalance: 2.1%.
+87:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
 87:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 87: 
 87: 
-87: NOTE: 24 % of the run time was spent communicating energies,
+87: NOTE: 23 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      182.1
+87:        Time:        0.002        0.001      186.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1272.456        0.019
+87: Performance:     1262.546        0.019
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
@@ -317045,18 +316948,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 3.6%.
-87:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.7%.
+87:  Average load imbalance: 3.5%.
+87:  The balanceable part of the MD step is 40%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 1.4%.
 87: 
 87: 
-87: NOTE: 24 % of the run time was spent communicating energies,
+87: NOTE: 23 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      185.0
+87:        Time:        0.002        0.001      186.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1270.356        0.019
+87: Performance:     1232.982        0.019
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
@@ -317077,12 +316980,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
-87: 
-87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-87: 
-87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
@@ -317090,10 +316987,6 @@
 87:   determining the Verlet buffer size
 87: 
 87: 
-87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: 
-87: This run will generate roughly 0 Mb of data
-87: 
 87: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
 87:   COM removal frequency is set to (5).
 87:   Other settings require a global communication frequency of 100.
@@ -317103,6 +316996,16 @@
 87: 
 87: 
 87: There were 4 NOTEs
+87: 
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
+87: 
+87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: 
+87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+87: 
+87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: 
+87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -317121,18 +317024,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 3.2%.
-87:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.5%.
+87:  Average load imbalance: 1.7%.
+87:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.8%.
 87: 
 87: 
-87: NOTE: 24 % of the run time was spent communicating energies,
+87: NOTE: 23 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      185.3
+87:        Time:        0.002        0.001      186.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1279.193        0.019
+87: Performance:     1263.841        0.019
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
@@ -317160,16 +317063,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
-87:   NVE simulation: will use the initial temperature of 68.810 K for
-87:   determining the Verlet buffer size
-87: 
-87: 
-87: There were 3 NOTEs
-87: 
-87: There was 1 WARNING
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
@@ -317180,6 +317073,16 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
+87:   NVE simulation: will use the initial temperature of 68.810 K for
+87:   determining the Verlet buffer size
+87: 
+87: 
+87: There were 3 NOTEs
+87: 
+87: There was 1 WARNING
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -317199,17 +317102,17 @@
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
 87:  Average load imbalance: 0.9%.
-87:  The balanceable part of the MD step is 60%, load imbalance is computed from this.
+87:  The balanceable part of the MD step is 58%, load imbalance is computed from this.
 87:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 87: 
 87: 
-87: NOTE: 24 % of the run time was spent communicating energies,
+87: NOTE: 23 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      188.2
+87:        Time:        0.003        0.002      188.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:      991.405        0.024
+87: Performance:      946.619        0.025
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -317231,6 +317134,12 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
+87:   NVE simulation: will use the initial temperature of 68.810 K for
+87:   determining the Verlet buffer size
+87: 
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
@@ -317241,12 +317150,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
-87:   NVE simulation: will use the initial temperature of 68.810 K for
-87:   determining the Verlet buffer size
-87: 
 87: 
 87: There were 3 NOTEs
 87: 
@@ -317268,24 +317171,25 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 1.1%.
-87:  The balanceable part of the MD step is 58%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+87:  DLB was turned on during the run due to measured imbalance.
+87:  Average load imbalance: 4.7%.
+87:  The balanceable part of the MD step is 57%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 2.7%.
+87:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 87: 
 87: 
-87: NOTE: 28 % of the run time was spent communicating energies,
+87: NOTE: 25 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      187.9
+87:        Time:        0.003        0.001      186.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1071.687        0.022
+87: Performance:      993.644        0.024
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
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Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
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Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Last energy frame read 16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -317301,6 +317205,11 @@
 87:   and should not be used for new production simulations (in our opinion).
 87:   We recommend using the C-rescale barostat instead.
 87: 
+87: Generated 1 of the 1 non-bonded parameter combinations
+87: 
+87: Excluding 1 bonded neighbours molecule type 'Argon'
+87: 
+87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
@@ -317308,15 +317217,6 @@
 87:   determining the Verlet buffer size
 87: 
 87: 
-87: There were 3 NOTEs
-87: 
-87: There was 1 WARNING
-87: Generated 1 of the 1 non-bonded parameter combinations
-87: 
-87: Excluding 1 bonded neighbours molecule type 'Argon'
-87: 
-87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -317326,6 +317226,10 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: 
+87: There were 3 NOTEs
+87: 
+87: There was 1 WARNING
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -317344,23 +317248,23 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 1.6%.
+87:  Average load imbalance: 2.2%.
 87:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 0.9%.
+87:  Part of the total run time spent waiting due to load imbalance: 1.2%.
 87: 
 87: 
-87: NOTE: 28 % of the run time was spent communicating energies,
+87: NOTE: 27 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      186.6
+87:        Time:        0.002        0.001      187.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1155.834        0.021
+87: Performance:     1203.829        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      0 time    0.000         
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Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
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Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -317397,11 +317301,11 @@
 87: 
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
+87: This run will generate roughly 0 Mb of data
+87: 
 87: There were 3 NOTEs
 87: 
 87: There was 1 WARNING
-87: 
-87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -317420,21 +317324,20 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 1.6%.
-87:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+87:  Average load imbalance: 2.4%.
+87:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 1.2%.
 87: 
 87: 
-87: NOTE: 28 % of the run time was spent communicating energies,
+87: NOTE: 27 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      184.2
+87:        Time:        0.002        0.001      186.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1086.908        0.022
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
+87: Performance:     1183.933        0.020
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriOpened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
+87: odicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
@@ -317453,6 +317356,7 @@
 87:   and should not be used for new production simulations (in our opinion).
 87:   We recommend using the C-rescale barostat instead.
 87: 
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
@@ -317496,18 +317400,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 2.0%.
-87:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.0%.
+87:  Average load imbalance: 1.4%.
+87:  The balanceable part of the MD step is 56%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.8%.
 87: 
 87: 
-87: NOTE: 28 % of the run time was spent communicating energies,
+87: NOTE: 27 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      186.4
+87:        Time:        0.003        0.001      186.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1147.117        0.021
+87: Performance:     1088.733        0.022
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
@@ -317534,6 +317438,12 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
+87:   NVE simulation: will use the initial temperature of 68.810 K for
+87:   determining the Verlet buffer size
+87: 
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
@@ -317541,15 +317451,9 @@
 87: 
 87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 87: 
-87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: 
-87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
-87:   NVE simulation: will use the initial temperature of 68.810 K for
-87:   determining the Verlet buffer size
-87: 
+87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: 
+87: This run will generate roughly 0 Mb of data
 87: 
 87: There were 3 NOTEs
 87: 
@@ -317572,23 +317476,23 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 1.8%.
-87:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 0.9%.
+87:  Average load imbalance: 2.4%.
+87:  The balanceable part of the MD step is 54%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 1.3%.
 87: 
 87: 
-87: NOTE: 28 % of the run time was spent communicating energies,
+87: NOTE: 27 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
 87:        Time:        0.002        0.001      186.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1112.824        0.022
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
+87: Performance:     1096.972        0.022
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
-87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (32 ms)
+87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (33 ms)
 87: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/18
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
@@ -317605,18 +317509,18 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
-87:   NVE simulation: will use the initial temperature of 68.810 K for
-87:   determining the Verlet buffer size
-87: 
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 87: 
 87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
+87:   NVE simulation: will use the initial temperature of 68.810 K for
+87:   determining the Verlet buffer size
+87: 
 87: 
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
@@ -317641,18 +317545,18 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 1.1%.
-87:  The balanceable part of the MD step is 59%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+87:  Average load imbalance: 1.3%.
+87:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 87: 
 87: 
-87: NOTE: 23 % of the run time was spent communicating energies,
+87: NOTE: 22 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      187.8
+87:        Time:        0.003        0.002      189.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:      940.046        0.026
+87: Performance:      879.143        0.027
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -317668,14 +317572,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
-87:   NVE simulation: will use the initial temperature of 68.810 K for
-87:   determining the Verlet buffer size
-87: 
-87: 
-87: There were 3 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
@@ -317684,8 +317580,16 @@
 87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 87: 
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
+87:   NVE simulation: will use the initial temperature of 68.810 K for
+87:   determining the Verlet buffer size
+87: 
 87: 
 87: This run will generate roughly 0 Mb of data
+87: 
+87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -317704,23 +317608,23 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 1.6%.
-87:  The balanceable part of the MD step is 58%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 0.9%.
+87:  Average load imbalance: 1.2%.
+87:  The balanceable part of the MD step is 57%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 87: 
 87: 
-87: NOTE: 27 % of the run time was spent communicating energies,
+87: NOTE: 26 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      188.0
+87:        Time:        0.002        0.001      187.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1114.838        0.022
+87: Performance:     1132.879        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
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Reading energy frame      7 time    0.007         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
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Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
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Reading energy frame      8 time    0.008         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
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Reading energy frame     13 time    0.013         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -317731,6 +317635,10 @@
 87:   Setting nstcalcenergy (100) equal to nstenergy (4)
 87: 
 87: Generated 1 of the 1 non-bonded parameter combinations
+87: 
+87: Excluding 1 bonded neighbours molecule type 'Argon'
+87: 
+87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
@@ -317738,10 +317646,6 @@
 87:   determining the Verlet buffer size
 87: 
 87: 
-87: Excluding 1 bonded neighbours molecule type 'Argon'
-87: 
-87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -317770,24 +317674,25 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 1.4%.
-87:  The balanceable part of the MD step is 56%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+87:  DLB was turned on during the run due to measured imbalance.
+87:  Average load imbalance: 6.0%.
+87:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 3.3%.
+87:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 87: 
 87: 
-87: NOTE: 29 % of the run time was spent communicating energies,
+87: NOTE: 26 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      187.4
+87:        Time:        0.002        0.001      187.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1212.596        0.020
+87: Performance:     1207.960        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -317798,6 +317703,11 @@
 87:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 87:   setting nstcomm equal to nstcalcenergy for less overhead
 87: 
+87: Generated 1 of the 1 non-bonded parameter combinations
+87: 
+87: Excluding 1 bonded neighbours molecule type 'Argon'
+87: 
+87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
@@ -317805,13 +317715,6 @@
 87:   determining the Verlet buffer size
 87: 
 87: 
-87: There were 3 NOTEs
-87: Generated 1 of the 1 non-bonded parameter combinations
-87: 
-87: Excluding 1 bonded neighbours molecule type 'Argon'
-87: 
-87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -317821,6 +317724,8 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: 
+87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -317838,23 +317743,24 @@
 87: 
 87: 
 87: Dynamic load balancing report:
-87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 2.0%.
-87:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 1.1%.
+87:  DLB was turned on during the run due to measured imbalance.
+87:  Average load imbalance: 4.5%.
+87:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 2.3%.
+87:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 87: 
 87: 
-87: NOTE: 28 % of the run time was spent communicating energies,
+87: NOTE: 25 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      186.7
+87:        Time:        0.003        0.001      187.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1123.581        0.021
+87: Performance:      997.021        0.024
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -317871,6 +317777,14 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
+87:   NVE simulation: will use the initial temperature of 68.810 K for
+87:   determining the Verlet buffer size
+87: 
+87: 
+87: There were 3 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
@@ -317881,14 +317795,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
-87:   NVE simulation: will use the initial temperature of 68.810 K for
-87:   determining the Verlet buffer size
-87: 
-87: 
-87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Can not increase nstlist because an NVE ensemble is used
 87: Using 2 MPI processes
@@ -317907,21 +317813,21 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 1.5%.
-87:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+87:  Average load imbalance: 1.6%.
+87:  The balanceable part of the MD step is 57%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 87: 
 87: 
-87: NOTE: 29 % of the run time was spent communicating energies,
+87: NOTE: 27 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      186.4
+87:        Time:        0.003        0.001      186.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1129.866        0.021
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
+87: Performance:     1084.994        0.022
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriOpened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
+87: odicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
@@ -317939,12 +317845,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
-87:   NVE simulation: will use the initial temperature of 68.810 K for
-87:   determining the Verlet buffer size
-87: 
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K
 87: 
@@ -317955,6 +317855,12 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_input.mdp]:
+87:   NVE simulation: will use the initial temperature of 68.810 K for
+87:   determining the Verlet buffer size
+87: 
 87: 
 87: There were 3 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -317975,23 +317881,23 @@
 87: 
 87: Dynamic load balancing report:
 87:  DLB was off during the run due to low measured imbalance.
-87:  Average load imbalance: 1.6%.
-87:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
-87:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+87:  Average load imbalance: 1.5%.
+87:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
+87:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 87: 
 87: 
-87: NOTE: 28 % of the run time was spent communicating energies,
+87: NOTE: 27 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      186.4
+87:        Time:        0.002        0.001      187.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1147.331        0.021
+87: Performance:     1110.117        0.022
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_18.edr as single precision energy file
-87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/18 (32 ms)
+87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/18 (33 ms)
 87: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/19
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
@@ -318037,13 +317943,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 12 % of the run time was spent communicating energies,
+87: NOTE: 10 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      186.7
+87:        Time:        0.002        0.001      186.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1058.794        0.023
+87: Performance:     1104.841        0.022
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -318059,6 +317965,9 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -318069,9 +317978,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -318088,18 +317994,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 11 % of the run time was spent communicating energies,
+87: NOTE: 10 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      185.7
+87:        Time:        0.002        0.001      185.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1152.806        0.021
+87: Performance:     1131.526        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -318114,16 +318020,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-87: 
-87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-87: 
-87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-87: 
-87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: 
-87: This run will generate roughly 0 Mb of data
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
@@ -318135,6 +318031,16 @@
 87: 
 87: 
 87: There were 3 NOTEs
+87: 
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+87: 
+87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: 
+87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+87: 
+87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: 
+87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -318151,18 +318057,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 9 % of the run time was spent communicating energies,
+87: NOTE: 7 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      183.6
+87:        Time:        0.002        0.001      184.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1348.494        0.018
+87: Performance:     1195.651        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -318178,6 +318084,14 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: 
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+87: 
+87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: 
+87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+87: 
+87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
@@ -318190,14 +318104,6 @@
 87: 
 87: There were 3 NOTEs
 87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-87: 
-87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-87: 
-87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-87: 
-87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: 
 87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
@@ -318215,13 +318121,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 8 % of the run time was spent communicating energies,
+87: NOTE: 7 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      184.1
+87:        Time:        0.002        0.001      185.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1246.453        0.019
+87: Performance:     1265.529        0.019
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
@@ -318283,9 +318189,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      181.5
+87:        Time:        0.002        0.001      184.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1286.674        0.019
+87: Performance:     1349.823        0.018
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
@@ -318301,9 +318207,6 @@
 87:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 87:   setting nstcomm equal to nstcalcenergy for less overhead
 87: 
-87: Generated 1 of the 1 non-bonded parameter combinations
-87: 
-87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_input.mdp]:
@@ -318315,19 +318218,9 @@
 87: 
 87: 
 87: There were 3 NOTEs
-87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
-87: 
-87: Using 2 MPI processes
-87: Using 1 OpenMP thread per MPI process
-87: 
+87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
-87: NOTE: The number of threads is not equal to the number of (logical) cpus
-87:       and the -pin option is set to auto: will not pin threads to cpus.
-87:       This can lead to significant performance degradation.
-87:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-87: starting mdrun 'Argon'
-87: 16 steps,      0.0 ps.
+87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: 
@@ -318340,21 +318233,34 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
+87: 
+87: Using 2 MPI processes
+87: Using 1 OpenMP thread per MPI process
+87: 
+87: 
+87: NOTE: The number of threads is not equal to the number of (logical) cpus
+87:       and the -pin option is set to auto: will not pin threads to cpus.
+87:       This can lead to significant performance degradation.
+87:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
+87: starting mdrun 'Argon'
+87: 16 steps,      0.0 ps.
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 8 % of the run time was spent communicating energies,
+87: NOTE: 7 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      183.8
+87:        Time:        0.002        0.001      185.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1275.353        0.019
+87: Performance:     1183.478        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
-87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/19 (31 ms)
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_19.edr as single precision energy file
+87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/19 (32 ms)
 87: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/20
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_input.mdp]:
@@ -318408,13 +318314,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 10 % of the run time was spent communicating energies,
+87: NOTE: 9 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      187.1
+87:        Time:        0.003        0.001      186.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1057.250        0.023
+87: Performance:      998.961        0.024
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -318436,6 +318342,11 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
+87: 
+87: There was 1 WARNING
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -318446,11 +318357,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
-87: 
-87: There was 1 WARNING
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -318467,18 +318373,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 12 % of the run time was spent communicating energies,
+87: NOTE: 10 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      185.4
+87:        Time:        0.003        0.001      186.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1199.259        0.020
+87: Performance:     1089.214        0.022
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -318530,18 +318436,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 11 % of the run time was spent communicating energies,
+87: NOTE: 10 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      185.3
+87:        Time:        0.002        0.001      185.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1283.457        0.019
+87: Performance:     1322.300        0.018
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Last energy frame read 4 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -318563,11 +318469,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
-87: 
-87: There was 1 WARNING
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -318578,6 +318479,11 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
+87: 
+87: There was 1 WARNING
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -318598,9 +318504,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      170.2
+87:        Time:        0.002        0.001      185.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1042.843        0.023
+87: Performance:     1243.309        0.019
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
@@ -318629,6 +318535,10 @@
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
+87: There were 2 NOTEs
+87: 
+87: There was 1 WARNING
+87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -318638,10 +318548,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: 
-87: There were 2 NOTEs
-87: 
-87: There was 1 WARNING
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -318658,16 +318564,16 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 12 % of the run time was spent communicating energies,
+87: NOTE: 9 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      184.0
+87:        Time:        0.002        0.001      181.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1181.435        0.020
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
+87: Performance:     1117.163        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_input.mdp]:
@@ -318726,14 +318632,14 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      184.8
+87:        Time:        0.002        0.001      185.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1238.808        0.019
+87: Performance:     1145.305        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_20.edr as single precision energy file
-87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/20 (32 ms)
+87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/20 (33 ms)
 87: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/21
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_input.mdp]:
@@ -318750,9 +318656,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -318763,6 +318666,9 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -318783,9 +318689,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      187.7
+87:        Time:        0.003        0.001      186.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:      977.484        0.025
+87: Performance:     1052.553        0.023
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -318801,7 +318707,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -318810,6 +318715,7 @@
 87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 87: 
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: There were 2 NOTEs
 87: 
@@ -318830,18 +318736,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 11 % of the run time was spent communicating energies,
+87: NOTE: 10 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      184.3
+87:        Time:        0.003        0.001      187.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1174.453        0.020
+87: Performance:     1098.733        0.022
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
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Reading energy frame      2 time    0.002         
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Reading energy frame      3 time    0.003         
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Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
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Reading energy frame      5 time    0.005         
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Reading energy frame      6 time    0.006         
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Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -318858,6 +318764,9 @@
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 87: 
@@ -318866,9 +318775,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -318885,18 +318791,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 12 % of the run time was spent communicating energies,
+87: NOTE: 10 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      184.6
+87:        Time:        0.002        0.001      185.9
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1306.872        0.018
+87: Performance:     1302.589        0.018
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
+87: 
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -318912,9 +318818,6 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -318923,8 +318826,11 @@
 87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 87: 
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: This run will generate roughly 0 Mb of data
+87: 
+87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -318941,16 +318847,16 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 10 % of the run time was spent communicating energies,
+87: NOTE: 9 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      185.7
+87:        Time:        0.002        0.001      185.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1125.839        0.021
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
+87: Performance:     1137.690        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_input.mdp]:
@@ -318963,6 +318869,9 @@
 87:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 87:   setting nstcomm equal to nstcalcenergy for less overhead
 87: 
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
@@ -318978,9 +318887,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -318997,13 +318903,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 11 % of the run time was spent communicating energies,
+87: NOTE: 10 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      182.9
+87:        Time:        0.002        0.001      184.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1187.012        0.020
+87: Performance:     1141.273        0.021
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
@@ -319028,13 +318934,13 @@
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 87: 
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -319053,18 +318959,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 11 % of the run time was spent communicating energies,
+87: NOTE: 10 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      184.6
+87:        Time:        0.002        0.001      185.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1218.472        0.020
+87: Performance:     1188.272        0.020
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_21.edr as single precision energy file
-87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/21 (31 ms)
+87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/21 (33 ms)
 87: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/22
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
@@ -319076,6 +318982,9 @@
 87: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
 87:   Setting nstcalcenergy (100) equal to nstenergy (1)
 87: 
+87: Number of degrees of freedom in T-Coupling group System is 33.00
+87: 
+87: There were 2 NOTEs
 87: Generated 1 of the 1 non-bonded parameter combinations
 87: 
 87: Excluding 1 bonded neighbours molecule type 'Argon'
@@ -319091,9 +319000,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -319110,13 +319016,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 10 % of the run time was spent communicating energies,
+87: NOTE: 14 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      187.8
+87:        Time:        0.003        0.002      187.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:      941.771        0.025
+87: Performance:      910.320        0.026
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -319132,18 +319038,18 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
-87: Number of degrees of freedom in T-Coupling group System is 33.00
-87: 
-87: There were 2 NOTEs
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 87: 
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
+87: There were 2 NOTEs
+87: 
 87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
@@ -319161,18 +319067,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 10 % of the run time was spent communicating energies,
+87: NOTE: 9 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      187.2
+87:        Time:        0.003        0.001      186.8
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1023.100        0.023
+87: Performance:     1001.885        0.024
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -319187,6 +319093,7 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -319197,7 +319104,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
 87:   COM removal frequency is set to (5).
@@ -319224,18 +319130,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 10 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.002        0.001      186.6
+87:        Time:        0.003        0.001      183.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1133.295        0.021
+87: Performance:     1007.621        0.024
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Last energy frame read 4 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -319253,16 +319159,6 @@
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-87: 
-87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-87: 
-87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-87: 
-87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: 
-87: This run will generate roughly 0 Mb of data
-87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
 87:   COM removal frequency is set to (5).
 87:   Other settings require a global communication frequency of 2.
@@ -319272,6 +319168,16 @@
 87: 
 87: 
 87: There were 3 NOTEs
+87: 
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+87: 
+87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: 
+87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+87: 
+87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: 
+87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -319288,13 +319194,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 10 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      186.2
+87:        Time:        0.003        0.001      186.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1074.491        0.022
+87: Performance:     1070.942        0.022
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
@@ -319310,11 +319216,6 @@
 87:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 87:   setting nstcomm equal to nstcalcenergy for less overhead
 87: 
-87: Generated 1 of the 1 non-bonded parameter combinations
-87: 
-87: Excluding 1 bonded neighbours molecule type 'Argon'
-87: 
-87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
@@ -319326,6 +319227,11 @@
 87: 
 87: 
 87: There were 3 NOTEs
+87: Generated 1 of the 1 non-bonded parameter combinations
+87: 
+87: Excluding 1 bonded neighbours molecule type 'Argon'
+87: 
+87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
@@ -319352,13 +319258,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 10 % of the run time was spent communicating energies,
+87: NOTE: 9 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      186.4
+87:        Time:        0.003        0.001      186.6
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1068.805        0.022
+87: Performance:     1079.669        0.022
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
@@ -319384,12 +319290,10 @@
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 87: 
-87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
 87: 
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: 
-87: This run will generate roughly 0 Mb of data
+87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_input.mdp]:
 87:   COM removal frequency is set to (5).
@@ -319400,6 +319304,8 @@
 87: 
 87: 
 87: There were 3 NOTEs
+87: 
+87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -319416,18 +319322,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 10 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      186.5
+87:        Time:        0.003        0.001      187.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1084.421        0.022
+87: Performance:      988.621        0.024
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_22.edr as single precision energy file
-87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/22 (32 ms)
+87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/22 (33 ms)
 87: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/23
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
@@ -319487,9 +319393,9 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.004        0.002      188.8
+87:        Time:        0.004        0.002      188.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:      770.556        0.031
+87: Performance:      772.440        0.031
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -319525,9 +319431,9 @@
 87: 
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
-87: This run will generate roughly 0 Mb of data
-87: 
 87: There were 4 NOTEs
+87: 
+87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -319544,18 +319450,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 9 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      189.3
+87:        Time:        0.004        0.002      188.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:      866.043        0.028
+87: Performance:      783.691        0.031
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -319617,18 +319523,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 9 % of the run time was spent communicating energies,
+87: NOTE: 8 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      188.2
+87:        Time:        0.003        0.002      187.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:      902.783        0.027
+87: Performance:      900.079        0.027
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriOpened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
+87: odicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -319691,13 +319597,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 8 % of the run time was spent communicating energies,
+87: NOTE: 7 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      187.9
+87:        Time:        0.003        0.002      188.4
 87:                  (ns/day)    (hour/ns)
-87: Performance:      876.391        0.027
+87: Performance:      829.654        0.029
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
@@ -319719,6 +319625,16 @@
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: 
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
+87: 
+87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
+87: 
+87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
+87: 
+87: Note that mdrun will redetermine rlist based on the actual pair-list setup
+87: 
+87: This run will generate roughly 0 Mb of data
+87: 
 87: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_input.mdp]:
 87:   MTTK coupling is deprecated and will soon be removed
 87: 
@@ -319739,16 +319655,6 @@
 87: 
 87: 
 87: There were 5 NOTEs
-87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-87: 
-87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
-87: 
-87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
-87: 
-87: Note that mdrun will redetermine rlist based on the actual pair-list setup
-87: 
-87: This run will generate roughly 0 Mb of data
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -319765,13 +319671,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 8 % of the run time was spent communicating energies,
+87: NOTE: 7 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      188.2
+87:        Time:        0.003        0.002      187.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:      881.596        0.027
+87: Performance:      839.146        0.029
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
@@ -319839,18 +319745,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 8 % of the run time was spent communicating energies,
+87: NOTE: 9 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.002      187.9
+87:        Time:        0.003        0.002      187.7
 87:                  (ns/day)    (hour/ns)
-87: Performance:      877.577        0.027
+87: Performance:      790.935        0.030
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_23.edr as single precision energy file
-87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/23 (34 ms)
+87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/23 (36 ms)
 87: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/24
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_input.mdp]:
@@ -319902,7 +319808,7 @@
 87:                Core t (s)   Wall t (s)        (%)
 87:        Time:        0.003        0.002      188.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:      891.290        0.027
+87: Performance:      971.626        0.025
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -319920,6 +319826,8 @@
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
+87: There were 2 NOTEs
+87: 
 87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
@@ -319929,8 +319837,6 @@
 87: Note that mdrun will redetermine rlist based on the actual pair-list setup
 87: 
 87: This run will generate roughly 0 Mb of data
-87: 
-87: There were 2 NOTEs
 87: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 87: Changing nstlist from 8 to 100, rlist from 0.703 to 0.751
 87: 
@@ -319947,18 +319853,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 10 % of the run time was spent communicating energies,
+87: NOTE: 9 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      187.8
+87:        Time:        0.003        0.001      188.0
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1022.081        0.023
+87: Performance:     1027.022        0.023
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Last energy frame read 16 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -320002,18 +319908,18 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 10 % of the run time was spent communicating energies,
+87: NOTE: 9 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      186.4
+87:        Time:        0.003        0.001      186.3
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1090.660        0.022
+87: Performance:     1042.755        0.023
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
-87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+87: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_input.mdp]:
 87:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 87:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -320062,12 +319968,12 @@
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      186.3
+87:        Time:        0.003        0.002      185.2
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1028.909        0.023
-87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
+87: Performance:      950.929        0.025
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
+87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
 87: 
 87: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_input.mdp]:
@@ -320114,13 +320020,13 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 10 % of the run time was spent communicating energies,
+87: NOTE: 9 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      186.1
+87:        Time:        0.003        0.001      187.5
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1043.638        0.023
+87: Performance:     1036.701        0.023
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
@@ -320141,12 +320047,12 @@
 87: Excluding 1 bonded neighbours molecule type 'Argon'
 87: 
 87: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/argon12.gro'
+87: 
+87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
 87: Number of degrees of freedom in T-Coupling group System is 33.00
 87: 
 87: There were 2 NOTEs
 87: 
-87: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K
-87: 
 87: Calculated rlist for 1x1 atom pair-list as 0.703 nm, buffer size 0.003 nm
 87: 
 87: Set rlist, assuming 4x4 atom pair-list, to 0.703 nm, buffer size 0.003 nm
@@ -320170,22 +320076,22 @@
 87: 
 87: Writing final coordinates.
 87: 
-87: NOTE: 10 % of the run time was spent communicating energies,
+87: NOTE: 9 % of the run time was spent communicating energies,
 87:       you might want to increase some nst* mdp options
 87: 
 87:                Core t (s)   Wall t (s)        (%)
-87:        Time:        0.003        0.001      186.3
+87:        Time:        0.003        0.001      187.1
 87:                  (ns/day)    (hour/ns)
-87: Performance:     1050.042        0.023
+87: Performance:     1057.522        0.023
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24_reference.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
 87: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_24.edr as single precision energy file
 87: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/24 (33 ms)
-87: [----------] 25 tests from PropagatorsWithCoupling/PeriodicActionsTest (805 ms total)
+87: [----------] 25 tests from PropagatorsWithCoupling/PeriodicActionsTest (806 ms total)
 87: 
 87: [----------] Global test environment tear-down
-87: [==========] 25 tests from 1 test suite ran. (819 ms total)
+87: [==========] 25 tests from 1 test suite ran. (820 ms total)
 87: [  PASSED  ] 25 tests.
 87/96 Test #87: MdrunCoordinationCouplingTests2Ranks .........   Passed    1.00 sec
 test 88
@@ -320223,6 +320129,8 @@
 88:   determining the Verlet buffer size
 88: 
 88: 
+88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
@@ -320231,8 +320139,6 @@
 88: 
 88: There were 4 NOTEs
 88: 
-88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
 88: 
 88: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
@@ -320253,9 +320159,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.2
+88:        Time:        0.001        0.001       96.3
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1682.763        0.014
+88: Performance:     1744.222        0.014
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 88:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -320311,9 +320217,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.0
+88:        Time:        0.001        0.001       96.3
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1871.383        0.013
+88: Performance:     1953.883        0.012
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -320343,14 +320249,6 @@
 88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
 88: 
-88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
-88: 
-88: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
-88: 
-88: Note that mdrun will redetermine rlist based on the actual pair-list setup
-88: 
-88: This run will generate roughly 0 Mb of data
-88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
@@ -320366,6 +320264,14 @@
 88: 
 88: 
 88: There were 5 NOTEs
+88: 
+88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
+88: 
+88: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
+88: 
+88: Note that mdrun will redetermine rlist based on the actual pair-list setup
+88: 
+88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Can not increase nstlist because an NVE ensemble is used
 88: Using 1 MPI process
@@ -320379,9 +320285,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       95.5
+88:        Time:        0.001        0.001       95.1
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2198.642        0.011
+88: Performance:     2562.643        0.009
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -320410,6 +320316,16 @@
 88:   determining the Verlet buffer size
 88: 
 88: 
+88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+88: 
+88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
+88: 
+88: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
+88: 
+88: Note that mdrun will redetermine rlist based on the actual pair-list setup
+88: 
+88: This run will generate roughly 0 Mb of data
+88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
@@ -320425,16 +320341,6 @@
 88: 
 88: 
 88: There were 5 NOTEs
-88: 
-88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-88: 
-88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
-88: 
-88: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
-88: 
-88: Note that mdrun will redetermine rlist based on the actual pair-list setup
-88: 
-88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Can not increase nstlist because an NVE ensemble is used
 88: Using 1 MPI process
@@ -320450,7 +320356,7 @@
 88:                Core t (s)   Wall t (s)        (%)
 88:        Time:        0.001        0.001       95.2
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2226.452        0.011
+88: Performance:     2186.934        0.011
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 88: 
@@ -320481,6 +320387,12 @@
 88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
 88: 
+88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
+88: 
+88: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
+88: 
+88: Note that mdrun will redetermine rlist based on the actual pair-list setup
+88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
@@ -320497,12 +320409,6 @@
 88: 
 88: There were 5 NOTEs
 88: 
-88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
-88: 
-88: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
-88: 
-88: Note that mdrun will redetermine rlist based on the actual pair-list setup
-88: 
 88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Can not increase nstlist because an NVE ensemble is used
@@ -320517,9 +320423,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       95.1
+88:        Time:        0.001        0.001       95.3
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2319.501        0.010
+88: Performance:     2188.488        0.011
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 88: 
@@ -320548,6 +320454,16 @@
 88:   determining the Verlet buffer size
 88: 
 88: 
+88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+88: 
+88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
+88: 
+88: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
+88: 
+88: Note that mdrun will redetermine rlist based on the actual pair-list setup
+88: 
+88: This run will generate roughly 0 Mb of data
+88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
@@ -320563,16 +320479,6 @@
 88: 
 88: 
 88: There were 5 NOTEs
-88: 
-88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-88: 
-88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
-88: 
-88: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
-88: 
-88: Note that mdrun will redetermine rlist based on the actual pair-list setup
-88: 
-88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Can not increase nstlist because an NVE ensemble is used
 88: Using 1 MPI process
@@ -320586,12 +320492,12 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       95.2
+88:        Time:        0.001        0.001       95.5
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2336.213        0.010
+88: Performance:     2169.987        0.011
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (902 ms)
+88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (922 ms)
 88: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -320648,9 +320554,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.1
+88:        Time:        0.001        0.001       96.2
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1631.081        0.015
+88: Performance:     1806.096        0.013
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 88:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -320708,7 +320614,7 @@
 88:                Core t (s)   Wall t (s)        (%)
 88:        Time:        0.001        0.001       95.6
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1961.973        0.012
+88: Performance:     1969.499        0.012
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -320766,9 +320672,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       95.1
+88:        Time:        0.001        0.001       94.7
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2238.588        0.011
+88: Performance:     2304.749        0.010
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -320790,6 +320696,16 @@
 88: Excluding 2 bonded neighbours molecule type 'SOL'
 88: 
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
+88: 
+88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+88: 
+88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
+88: 
+88: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
+88: 
+88: Note that mdrun will redetermine rlist based on the actual pair-list setup
+88: 
+88: This run will generate roughly 0 Mb of data
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
 88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -320797,8 +320713,6 @@
 88:   determining the Verlet buffer size
 88: 
 88: 
-88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
@@ -320806,14 +320720,6 @@
 88: 
 88: 
 88: There were 4 NOTEs
-88: 
-88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
-88: 
-88: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
-88: 
-88: Note that mdrun will redetermine rlist based on the actual pair-list setup
-88: 
-88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Can not increase nstlist because an NVE ensemble is used
 88: Using 1 MPI process
@@ -320829,7 +320735,7 @@
 88:                Core t (s)   Wall t (s)        (%)
 88:        Time:        0.001        0.001       95.2
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2072.878        0.012
+88: Performance:     2089.754        0.011
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 88: 
@@ -320866,14 +320772,14 @@
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
-88: This run will generate roughly 0 Mb of data
-88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
 88: 
 88: 
 88: 
+88: This run will generate roughly 0 Mb of data
+88: 
 88: There were 4 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Can not increase nstlist because an NVE ensemble is used
@@ -320888,9 +320794,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       95.1
+88:        Time:        0.001        0.001       95.7
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2073.576        0.012
+88: Performance:     1559.249        0.015
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 88: 
@@ -320919,14 +320825,6 @@
 88:   determining the Verlet buffer size
 88: 
 88: 
-88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 4 NOTEs
-88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
 88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
@@ -320935,11 +320833,20 @@
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
+88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might p
 88: This run will generate roughly 0 Mb of data
+88: roduce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
+88: There were 4 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Can not increase nstlist because an NVE ensemble is used
 88: Using 1 MPI process
 88: Using 1 OpenMP thread 
+88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (907 ms)
 88: 
 88: 
 88: NOTE: Thread affinity was not set.
@@ -320949,12 +320856,11 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       95.6
+88:        Time:        0.001        0.001       94.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1901.418        0.013
+88: Performance:     2211.268        0.011
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
-88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (873 ms)
 88: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -320989,14 +320895,14 @@
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
-88: This run will generate roughly 0 Mb of data
-88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
 88: 
 88: 
 88: 
+88: This run will generate roughly 0 Mb of data
+88: 
 88: There were 4 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Can not increase nstlist because an NVE ensemble is used
@@ -321011,9 +320917,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.4
+88:        Time:        0.001        0.001       96.1
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1152.374        0.021
+88: Performance:     1698.069        0.014
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 88:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -321047,15 +320953,15 @@
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
-88: This run will generate roughly 0 Mb of data
-88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
 88: 
 88: 
 88: 
+88: 
 88: There were 4 NOTEs
+88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Can not increase nstlist because an NVE ensemble is used
 88: Using 1 MPI process
@@ -321069,9 +320975,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.2
+88:        Time:        0.001        0.001       95.0
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1287.211        0.019
+88: Performance:     1862.895        0.013
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -321099,14 +321005,6 @@
 88:   determining the Verlet buffer size
 88: 
 88: 
-88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 4 NOTEs
-88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
 88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
@@ -321115,7 +321013,15 @@
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
+88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
 88: This run will generate roughly 0 Mb of data
+88: 
+88: There were 4 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Can not increase nstlist because an NVE ensemble is used
 88: Using 1 MPI process
@@ -321128,13 +321034,10 @@
 88: 
 88: Writing final coordinates.
 88: 
-88: NOTE: 11 % of the run time was spent in pair search,
-88:       you might want to increase nstlist (this has no effect on accuracy)
-88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       94.6
+88:        Time:        0.001        0.001       95.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1910.262        0.013
+88: Performance:     1609.771        0.015
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -321163,14 +321066,6 @@
 88:   determining the Verlet buffer size
 88: 
 88: 
-88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 4 NOTEs
-88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
 88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
@@ -321179,6 +321074,14 @@
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
+88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
+88: 
+88: There were 4 NOTEs
 88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Can not increase nstlist because an NVE ensemble is used
@@ -321193,9 +321096,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       95.2
+88:        Time:        0.001        0.001       94.9
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2050.797        0.012
+88: Performance:     2316.013        0.010
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 88: 
@@ -321232,14 +321135,14 @@
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
-88: This run will generate roughly 0 Mb of data
-88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
 88: 
 88: 
 88: 
+88: This run will generate roughly 0 Mb of data
+88: 
 88: There were 4 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Can not increase nstlist because an NVE ensemble is used
@@ -321254,9 +321157,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       92.1
+88:        Time:        0.001        0.001       95.1
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1330.869        0.018
+88: Performance:     1333.462        0.018
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 88: 
@@ -321285,14 +321188,6 @@
 88:   determining the Verlet buffer size
 88: 
 88: 
-88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 4 NOTEs
-88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
 88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
@@ -321301,8 +321196,17 @@
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
+88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
 88: This run will generate roughly 0 Mb of data
-88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+88: 
+88: There were 4 NOTEs
+88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstra[       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (989 ms)
+88: ints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Can not increase nstlist because an NVE ensemble is used
 88: Using 1 MPI process
 88: Using 1 OpenMP thread 
@@ -321315,12 +321219,11 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       93.8
+88:        Time:        0.001        0.001       94.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1467.157        0.016
+88: Performance:     2289.332        0.010
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
-88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (1026 ms)
 88: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -321350,14 +321253,14 @@
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
-88: This run will generate roughly 0 Mb of data
-88: 
 88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
 88: 
 88: 
 88: 
+88: This run will generate roughly 0 Mb of data
+88: 
 88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
@@ -321373,9 +321276,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.6
+88:        Time:        0.001        0.001       96.2
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1053.633        0.023
+88: Performance:     1832.419        0.013
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 88:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -321396,14 +321299,6 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 3 NOTEs
-88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -321412,7 +321307,15 @@
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
 88: This run will generate roughly 0 Mb of data
+88: 
+88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -321427,9 +321330,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.2
+88:        Time:        0.001        0.001       95.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1813.006        0.013
+88: Performance:     2039.256        0.012
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -321452,12 +321355,22 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
+88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+88: 
+88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
+88: 
+88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
+88: 
+88: Note that mdrun will redetermine rlist based on the actual pair-list setup
+88: 
 88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
 88: 
 88: 
 88: 
+88: This run will generate roughly 0 Mb of data
+88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 88:   COM removal frequency is set to (5).
 88:   Other settings require a global communication frequency of 2.
@@ -321467,16 +321380,6 @@
 88: 
 88: 
 88: There were 4 NOTEs
-88: 
-88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-88: 
-88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
-88: 
-88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
-88: 
-88: Note that mdrun will redetermine rlist based on the actual pair-list setup
-88: 
-88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -321491,9 +321394,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       95.4
+88:        Time:        0.001        0.001       94.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2114.862        0.011
+88: Performance:     2390.607        0.010
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -321523,13 +321426,15 @@
 88: 
 88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
 88: 
-88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
 88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
 88: 
 88: 
+88: Note that mdrun will redetermine rlist based on the actual pair-list setup
+88: 
+88: This run will generate roughly 0 Mb of data
 88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 88:   COM removal frequency is set to (5).
@@ -321540,8 +321445,6 @@
 88: 
 88: 
 88: There were 4 NOTEs
-88: 
-88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -321556,9 +321459,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       94.9
+88:        Time:        0.001        0.001       95.6
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2191.602        0.011
+88: Performance:     1297.513        0.018
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 88: 
@@ -321596,6 +321499,8 @@
 88: 
 88: 
 88: 
+88: This run will generate roughly 0 Mb of data
+88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 88:   COM removal frequency is set to (5).
 88:   Other settings require a global communication frequency of 2.
@@ -321605,8 +321510,6 @@
 88: 
 88: 
 88: There were 4 NOTEs
-88: 
-88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -321621,9 +321524,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       95.2
+88:        Time:        0.001        0.001       94.7
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2225.648        0.011
+88: Performance:     2383.208        0.010
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 88: 
@@ -321655,14 +321558,14 @@
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
-88: This run will generate roughly 0 Mb of data
-88: 
 88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
 88: 
 88: 
 88: 
+88: This run will generate roughly 0 Mb of data
+88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 88:   COM removal frequency is set to (5).
 88:   Other settings require a global communication frequency of 2.
@@ -321686,12 +321589,12 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       95.1
+88:        Time:        0.001        0.001       95.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2194.725        0.011
+88: Performance:     1798.188        0.013
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
-88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (934 ms)
+88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (959 ms)
 88: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -321721,14 +321624,14 @@
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
-88: This run will generate roughly 0 Mb of data
-88: 
 88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
 88: 
 88: 
 88: 
+88: This run will generate roughly 0 Mb of data
+88: 
 88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
@@ -321744,9 +321647,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.1
+88:        Time:        0.001        0.001       96.2
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1695.265        0.014
+88: Performance:     1411.362        0.017
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 88:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -321767,23 +321670,23 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 3 NOTEs
-88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 88: 
 88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
 88: 
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
 88: This run will generate roughly 0 Mb of data
+88: 
+88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -321798,9 +321701,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       95.8
+88:        Time:        0.001        0.001       95.6
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1865.151        0.013
+88: Performance:     1845.042        0.013
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -321823,14 +321726,6 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 3 NOTEs
-88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -321839,6 +321734,14 @@
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
+88: 
+88: There were 3 NOTEs
 88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
@@ -321854,9 +321757,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       94.7
+88:        Time:        0.001        0.001       96.0
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2193.163        0.011
+88: Performance:     1569.578        0.015
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -321882,21 +321785,21 @@
 88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 3 NOTEs
-88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 88: 
 88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
 88: This run will generate roughly 0 Mb of data
+88: 
+88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -321911,9 +321814,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       94.8
+88:        Time:        0.001        0.001       95.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2169.223        0.011
+88: Performance:     1586.147        0.015
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 88: 
@@ -321937,23 +321840,23 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 3 NOTEs
-88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 88: 
 88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
 88: 
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
 88: This run will generate roughly 0 Mb of data
+88: 
+88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -321968,9 +321871,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       94.9
+88:        Time:        0.001        0.001       96.0
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2210.475        0.011
+88: Performance:     1458.474        0.016
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 88: 
@@ -321994,23 +321897,23 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 3 NOTEs
-88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 88: 
 88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
 88: 
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
 88: This run will generate roughly 0 Mb of data
+88: 
+88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -322025,12 +321928,12 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       94.7
+88:        Time:        0.001        0.001       95.9
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2218.435        0.011
+88: Performance:     1517.761        0.016
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
-88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (869 ms)
+88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (1156 ms)
 88: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
@@ -322060,6 +321963,8 @@
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
+88: This run will generate roughly 0 Mb of data
+88: 
 88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
@@ -322067,8 +321972,6 @@
 88: 
 88: 
 88: There were 3 NOTEs
-88: 
-88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -322083,9 +321986,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       95.9
+88:        Time:        0.001        0.001       95.5
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1692.936        0.014
+88: Performance:     1547.499        0.016
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 88:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -322106,14 +322009,6 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 3 NOTEs
-88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -322122,6 +322017,14 @@
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
+88: There were 3 NOTEs
+88: 
 88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
@@ -322137,9 +322040,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       95.3
+88:        Time:        0.007        0.007       99.3
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1936.685        0.012
+88: Performance:      210.015        0.114
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -322193,9 +322096,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       94.6
+88:        Time:        0.001        0.001       95.7
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2322.124        0.010
+88: Performance:     1356.361        0.018
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -322221,21 +322124,21 @@
 88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
+88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 88: 
+88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
 88: 
-88: There were 3 NOTEs
 88: 
-88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
 88: 
-88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
 88: This run will generate roughly 0 Mb of data
+88: 
+88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -322250,9 +322153,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       94.8
+88:        Time:        0.001        0.001       95.5
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2279.169        0.011
+88: Performance:     1403.644        0.017
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 88: 
@@ -322278,21 +322181,21 @@
 88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 3 NOTEs
-88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 88: 
 88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstr
 88: This run will generate roughly 0 Mb of data
+88: aints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
+88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -322307,9 +322210,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       94.9
+88:        Time:        0.001        0.001       95.4
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2239.402        0.011
+88: Performance:     1468.906        0.016
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 88: 
@@ -322335,14 +322238,6 @@
 88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 3 NOTEs
-88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 88: 
 88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
@@ -322350,6 +322245,14 @@
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
 88: This run will generate roughly 0 Mb of data
+88: 
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
+88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -322366,10 +322269,10 @@
 88:                Core t (s)   Wall t (s)        (%)
 88:        Time:        0.001        0.001       94.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2108.348        0.011
+88: Performance:     2329.147        0.010
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
-88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (860 ms)
+88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (1326 ms)
 88: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
@@ -322391,23 +322294,23 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 3 NOTEs
-88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 88: 
 88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
 88: 
+88: 
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
 88: This run will generate roughly 0 Mb of data
+88: 
+88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -322422,9 +322325,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.8
+88:        Time:        0.001        0.001       96.6
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1577.213        0.015
+88: Performance:     1526.033        0.016
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 88:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -322445,23 +322348,23 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 3 NOTEs
-88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 88: 
 88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
 88: 
+88: 
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
 88: This run will generate roughly 0 Mb of data
+88: 
+88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -322476,9 +322379,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.1
+88:        Time:        0.001        0.001       97.0
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1930.011        0.012
+88: Performance:     1408.136        0.017
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -322501,11 +322404,21 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
+88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+88: 
+88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
+88: 
+88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
+88: 
+88: Note that mdrun will redetermine rlist based on the actual pair-list setup
+88: 
+88: 
 88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
 88: 
 88: 
+88: This run will generate roughly 0 Mb of data
 88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 88:   COM removal frequency is set to (5).
@@ -322516,16 +322429,6 @@
 88: 
 88: 
 88: There were 4 NOTEs
-88: 
-88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-88: 
-88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
-88: 
-88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
-88: 
-88: Note that mdrun will redetermine rlist based on the actual pair-list setup
-88: 
-88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -322540,9 +322443,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.3
+88:        Time:        0.001        0.001       97.2
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1858.960        0.013
+88: Performance:     1162.596        0.021
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -322568,12 +322471,20 @@
 88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
+88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
+88: 
+88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
+88: 
+88: Note that mdrun will redetermine rlist based on the actual pair-list setup
+88: 
 88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
 88: 
 88: 
 88: 
+88: This run will generate roughly 0 Mb of data
+88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 88:   COM removal frequency is set to (5).
 88:   Other settings require a global communication frequency of 100.
@@ -322583,14 +322494,6 @@
 88: 
 88: 
 88: There were 4 NOTEs
-88: 
-88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
-88: 
-88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
-88: 
-88: Note that mdrun will redetermine rlist based on the actual pair-list setup
-88: 
-88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -322605,9 +322508,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.5
+88:        Time:        0.001        0.001       96.3
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1656.074        0.014
+88: Performance:     1505.521        0.016
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 88: 
@@ -322631,12 +322534,22 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
+88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+88: 
+88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
+88: 
+88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
+88: 
+88: Note that mdrun will redetermine rlist based on the actual pair-list setup
+88: 
 88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
 88: 
 88: 
 88: 
+88: This run will generate roughly 0 Mb of data
+88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 88:   COM removal frequency is set to (5).
 88:   Other settings require a global communication frequency of 100.
@@ -322646,16 +322559,6 @@
 88: 
 88: 
 88: There were 4 NOTEs
-88: 
-88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-88: 
-88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
-88: 
-88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
-88: 
-88: Note that mdrun will redetermine rlist based on the actual pair-list setup
-88: 
-88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -322670,9 +322573,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.5
+88:        Time:        0.001        0.001       96.1
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1627.634        0.015
+88: Performance:     1948.938        0.012
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 88: 
@@ -322696,12 +322599,22 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
+88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+88: 
+88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
+88: 
+88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
+88: 
+88: Note that mdrun will redetermine rlist based on the actual pair-list setup
+88: 
 88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
 88: 
 88: 
 88: 
+88: This run will generate roughly 0 Mb of data
+88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 88:   COM removal frequency is set to (5).
 88:   Other settings require a global communication frequency of 100.
@@ -322711,16 +322624,6 @@
 88: 
 88: 
 88: There were 4 NOTEs
-88: 
-88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-88: 
-88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
-88: 
-88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
-88: 
-88: Note that mdrun will redetermine rlist based on the actual pair-list setup
-88: 
-88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -322735,12 +322638,12 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.0
+88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (908 ms)
+88:        Time:        0.001        0.001       96.3
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2097.580        0.011
+88: Performance:     1716.043        0.014
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
-88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (944 ms)
 88: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -322762,12 +322665,6 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -322776,9 +322673,15 @@
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
-88: There were 3 NOTEs
+88: 
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
 88: 
 88: This run will generate roughly 0 Mb of data
+88: 
+88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -322793,9 +322696,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.6
+88:        Time:        0.001        0.001       96.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1498.928        0.016
+88: Performance:     1510.690        0.016
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 88:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -322818,21 +322721,21 @@
 88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 3 NOTEs
-88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 88: 
 88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
 88: This run will generate roughly 0 Mb of data
+88: 
+88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -322847,9 +322750,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.2
+88:        Time:        0.001        0.001       96.5
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1791.912        0.013
+88: Performance:     1593.944        0.015
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -322872,14 +322775,6 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 3 NOTEs
-88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -322888,7 +322783,15 @@
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
 88: This run will generate roughly 0 Mb of data
+88: 
+88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -322903,9 +322806,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       95.6
+88:        Time:        0.001        0.001       96.1
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2057.647        0.012
+88: Performance:     1997.598        0.012
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -322919,8 +322822,8 @@
 88:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 88:   setting nstcomm equal to nstcalcenergy for less overhead
 88: 
-88: Generating 1-4 interactions: fudge = 0.5
 88: Generated 330891 of the 330891 non-bonded parameter combinations
+88: Generating 1-4 interactions: fudge = 0.5
 88: 
 88: Generated 330891 of the 330891 1-4 parameter combinations
 88: 
@@ -322937,14 +322840,14 @@
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
-88: This run will generate roughly 0 Mb of data
-88: 
 88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
 88: 
 88: 
 88: 
+88: This run will generate roughly 0 Mb of data
+88: 
 88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
@@ -322960,9 +322863,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       95.8
+88:        Time:        0.001        0.001       96.5
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1919.188        0.013
+88: Performance:     1702.292        0.014
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 88: 
@@ -322988,21 +322891,21 @@
 88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 3 NOTEs
-88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 88: 
 88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
 88: This run will generate roughly 0 Mb of data
+88: 
+88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -323017,9 +322920,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       90.1
+88:        Time:        0.001        0.001       96.3
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1883.398        0.013
+88: Performance:     1681.385        0.014
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 88: 
@@ -323074,9 +322977,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.1
+88:        Time:        0.001        0.001       96.0
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1955.123        0.012
+88: Performance:     1932.432        0.012
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (874 ms)
@@ -323101,6 +323004,14 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
+88: There were 3 NOTEs
+88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -323110,14 +323021,6 @@
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
 88: This run will generate roughly 0 Mb of data
-88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -323132,9 +323035,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       91.8
+88:        Time:        0.001        0.001       96.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1533.249        0.016
+88: Performance:     1591.062        0.015
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 88:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -323145,8 +323048,8 @@
 88: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 88:   Setting nstcalcenergy (100) equal to nstenergy (1)
 88: 
-88: Generated 330891 of the 330891 non-bonded parameter combinations
 88: Generating 1-4 interactions: fudge = 0.5
+88: Generated 330891 of the 330891 non-bonded parameter combinations
 88: 
 88: Generated 330891 of the 330891 1-4 parameter combinations
 88: 
@@ -323186,9 +323089,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.4
+88:        Time:        0.001        0.001       96.2
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1811.939        0.013
+88: Performance:     1896.151        0.013
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -323201,8 +323104,8 @@
 88: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 88:   Setting nstcalcenergy (100) equal to nstenergy (4)
 88: 
-88: Generated 330891 of the 330891 non-bonded parameter combinations
 88: Generating 1-4 interactions: fudge = 0.5
+88: Generated 330891 of the 330891 non-bonded parameter combinations
 88: 
 88: Generated 330891 of the 330891 1-4 parameter combinations
 88: 
@@ -323211,14 +323114,6 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 3 NOTEs
-88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -323228,6 +323123,14 @@
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
 88: This run will generate roughly 0 Mb of data
+88: 
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
+88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -323242,9 +323145,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       95.9
+88:        Time:        0.001        0.001       95.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2127.277        0.011
+88: Performance:     2170.752        0.011
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -323258,8 +323161,8 @@
 88:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 88:   setting nstcomm equal to nstcalcenergy for less overhead
 88: 
-88: Generating 1-4 interactions: fudge = 0.5
 88: Generated 330891 of the 330891 non-bonded parameter combinations
+88: Generating 1-4 interactions: fudge = 0.5
 88: 
 88: Generated 330891 of the 330891 1-4 parameter combinations
 88: 
@@ -323268,14 +323171,6 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
-88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-88: 
-88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
-88: 
-88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
-88: 
-88: Note that mdrun will redetermine rlist based on the actual pair-list setup
-88: 
 88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
@@ -323284,6 +323179,14 @@
 88: 
 88: There were 3 NOTEs
 88: 
+88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+88: 
+88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
+88: 
+88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
+88: 
+88: Note that mdrun will redetermine rlist based on the actual pair-list setup
+88: 
 88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
@@ -323299,9 +323202,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       95.8
+88:        Time:        0.001        0.001       95.7
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2021.856        0.012
+88: Performance:     2081.985        0.012
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 88: 
@@ -323356,9 +323259,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       95.9
+88:        Time:        0.001        0.001       95.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:     2060.399        0.012
+88: Performance:     1963.849        0.012
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 88: 
@@ -323390,8 +323293,6 @@
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
-88: This run will generate roughly 0 Mb of data
-88: 
 88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
@@ -323399,6 +323300,8 @@
 88: 
 88: 
 88: There were 3 NOTEs
+88: 
+88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -323413,12 +323316,12 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       95.5
+88:        Time:        0.001        0.001       95.6
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1936.685        0.012
+88: Performance:     2094.016        0.011
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
-88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (866 ms)
+88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (878 ms)
 88: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
@@ -323475,9 +323378,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       97.9
+88:        Time:        0.001        0.001       98.0
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1322.300        0.018
+88: Performance:     1402.366        0.017
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 88:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -323488,8 +323391,8 @@
 88: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 88:   Setting nstcalcenergy (100) equal to nstenergy (1)
 88: 
-88: Generating 1-4 interactions: fudge = 0.5
 88: Generated 330891 of the 330891 non-bonded parameter combinations
+88: Generating 1-4 interactions: fudge = 0.5
 88: 
 88: Generated 330891 of the 330891 1-4 parameter combinations
 88: 
@@ -323533,9 +323436,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       97.5
+88:        Time:        0.001        0.001       97.6
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1362.360        0.018
+88: Performance:     1611.877        0.015
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -323563,6 +323466,8 @@
 88:   determining the Verlet buffer size
 88: 
 88: 
+88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
@@ -323579,8 +323484,6 @@
 88: 
 88: There were 5 NOTEs
 88: 
-88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
 88: 
 88: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
@@ -323603,7 +323506,7 @@
 88:                Core t (s)   Wall t (s)        (%)
 88:        Time:        0.001        0.001       97.3
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1622.917        0.015
+88: Performance:     1759.667        0.014
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -323634,6 +323537,14 @@
 88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
 88: 
+88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
+88: 
+88: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
+88: 
+88: Note that mdrun will redetermine rlist based on the actual pair-list setup
+88: 
+88: This run will generate roughly 0 Mb of data
+88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
@@ -323649,14 +323560,6 @@
 88: 
 88: 
 88: There were 5 NOTEs
-88: 
-88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
-88: 
-88: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
-88: 
-88: Note that mdrun will redetermine rlist based on the actual pair-list setup
-88: 
-88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Can not increase nstlist because an NVE ensemble is used
 88: Using 1 MPI process
@@ -323672,7 +323575,7 @@
 88:                Core t (s)   Wall t (s)        (%)
 88:        Time:        0.001        0.001       97.5
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1549.835        0.015
+88: Performance:     1690.149        0.014
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 88: 
@@ -323739,9 +323642,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       97.5
+88:        Time:        0.001        0.001       97.7
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1591.473        0.015
+88: Performance:     1707.955        0.014
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 88: 
@@ -323770,6 +323673,8 @@
 88:   determining the Verlet buffer size
 88: 
 88: 
+88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
@@ -323786,8 +323691,6 @@
 88: 
 88: There were 5 NOTEs
 88: 
-88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
 88: 
 88: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
@@ -323810,10 +323713,10 @@
 88:                Core t (s)   Wall t (s)        (%)
 88:        Time:        0.001        0.001       97.5
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1593.532        0.015
+88: Performance:     1680.009        0.014
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
-88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (866 ms)
+88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (850 ms)
 88: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
@@ -323840,6 +323743,8 @@
 88:   determining the Verlet buffer size
 88: 
 88: 
+88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
@@ -323848,8 +323753,6 @@
 88: 
 88: There were 4 NOTEs
 88: 
-88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
 88: 
 88: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
@@ -323870,9 +323773,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.005        0.005       99.2
+88:        Time:        0.001        0.001       98.0
 88:                  (ns/day)    (hour/ns)
-88: Performance:      312.055        0.077
+88: Performance:     1279.990        0.019
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 88:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -323898,14 +323801,6 @@
 88:   determining the Verlet buffer size
 88: 
 88: 
-88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 4 NOTEs
-88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
 88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
@@ -323914,6 +323809,14 @@
 88: 
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
+88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
+88: There were 4 NOTEs
+88: 
 88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Can not increase nstlist because an NVE ensemble is used
@@ -323930,7 +323833,7 @@
 88:                Core t (s)   Wall t (s)        (%)
 88:        Time:        0.001        0.001       97.5
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1331.732        0.018
+88: Performance:     1529.822        0.016
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -323988,9 +323891,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       97.4
+88:        Time:        0.001        0.001       97.2
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1499.293        0.016
+88: Performance:     1608.510        0.015
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -324019,6 +323922,8 @@
 88:   determining the Verlet buffer size
 88: 
 88: 
+88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
@@ -324027,8 +323932,6 @@
 88: 
 88: There were 4 NOTEs
 88: 
-88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
 88: 
 88: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
@@ -324049,9 +323952,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       97.6
+88:        Time:        0.001        0.001       97.3
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1442.424        0.017
+88: Performance:     1534.777        0.016
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 88: 
@@ -324080,6 +323983,8 @@
 88:   determining the Verlet buffer size
 88: 
 88: 
+88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+88: 
 88: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
@@ -324088,8 +323993,6 @@
 88: 
 88: There were 4 NOTEs
 88: 
-88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
 88: 
 88: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
@@ -324110,9 +324013,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       97.5
+88:        Time:        0.001        0.001       97.6
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1493.839        0.016
+88: Performance:     1518.135        0.016
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 88: 
@@ -324171,12 +324074,12 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       97.3
+88:        Time:        0.001        0.001       97.6
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1496.016        0.016
+88: Performance:     1598.079        0.015
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
-88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (874 ms)
+88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (849 ms)
 88: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
@@ -324198,14 +324101,6 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 3 NOTEs
-88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -324215,6 +324110,14 @@
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
 88: This run will generate roughly 0 Mb of data
+88: 
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
+88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -324229,9 +324132,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       97.1
+88:        Time:        0.001        0.001       97.3
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1300.252        0.018
+88: Performance:     1441.749        0.017
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 88:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -324285,7 +324188,7 @@
 88:                Core t (s)   Wall t (s)        (%)
 88:        Time:        0.001        0.001       96.9
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1454.686        0.016
+88: Performance:     1498.563        0.016
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -324347,9 +324250,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.7
+88:        Time:        0.001        0.001       96.6
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1648.099        0.015
+88: Performance:     1766.732        0.014
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -324373,6 +324276,14 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
+88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+88: 
+88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
+88: 
+88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
+88: 
+88: Note that mdrun will redetermine rlist based on the actual pair-list setup
+88: 
 88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
@@ -324389,14 +324300,6 @@
 88: 
 88: There were 4 NOTEs
 88: 
-88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-88: 
-88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
-88: 
-88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
-88: 
-88: Note that mdrun will redetermine rlist based on the actual pair-list setup
-88: 
 88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
@@ -324412,9 +324315,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.7
+88:        Time:        0.001        0.001       97.0
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1568.779        0.015
+88: Performance:     1595.595        0.015
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 88: 
@@ -324438,6 +324341,14 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
+88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+88: 
+88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
+88: 
+88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
+88: 
+88: Note that mdrun will redetermine rlist based on the actual pair-list setup
+88: 
 88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
@@ -324454,14 +324365,6 @@
 88: 
 88: There were 4 NOTEs
 88: 
-88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-88: 
-88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
-88: 
-88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
-88: 
-88: Note that mdrun will redetermine rlist based on the actual pair-list setup
-88: 
 88: This run will generate roughly 0 Mb of data
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
@@ -324477,9 +324380,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.6
+88:        Time:        0.001        0.001       96.7
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1565.191        0.015
+88: Performance:     1676.808        0.014
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 88: 
@@ -324503,6 +324406,8 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
+88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+88: 
 88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
@@ -324519,8 +324424,6 @@
 88: 
 88: There were 4 NOTEs
 88: 
-88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 88: 
 88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
@@ -324544,10 +324447,10 @@
 88:                Core t (s)   Wall t (s)        (%)
 88:        Time:        0.001        0.001       96.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1539.379        0.016
+88: Performance:     1697.601        0.014
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
-88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (854 ms)
+88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (849 ms)
 88: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
@@ -324602,7 +324505,7 @@
 88:                Core t (s)   Wall t (s)        (%)
 88:        Time:        0.001        0.001       97.1
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1214.628        0.020
+88: Performance:     1315.242        0.018
 88: 
 88: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 88:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -324625,14 +324528,6 @@
 88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 3 NOTEs
-88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 88: 
 88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
@@ -324640,6 +324535,14 @@
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
 88: This run will generate roughly 0 Mb of data
+88: 
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
+88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -324656,7 +324559,7 @@
 88:                Core t (s)   Wall t (s)        (%)
 88:        Time:        0.001        0.001       96.9
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1387.834        0.017
+88: Performance:     1526.033        0.016
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
@@ -324679,6 +324582,8 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
+88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+88: 
 88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 88:   You are using a plain Coulomb cut-off, which might produce artifacts.
 88:   You might want to consider using PME electrostatics.
@@ -324687,8 +324592,6 @@
 88: 
 88: There were 3 NOTEs
 88: 
-88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 88: 
 88: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
@@ -324710,9 +324613,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.7
+88:        Time:        0.001        0.001       96.6
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1453.999        0.017
+88: Performance:     1684.603        0.014
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 88: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
@@ -324736,6 +324639,14 @@
 88: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 88: Number of degrees of freedom in T-Coupling group System is 27.00
 88: 
+88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
+88:   You are using a plain Coulomb cut-off, which might produce artifacts.
+88:   You might want to consider using PME electrostatics.
+88: 
+88: 
+88: 
+88: There were 3 NOTEs
+88: 
 88: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 88: 
 88: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -324745,14 +324656,6 @@
 88: Note that mdrun will redetermine rlist based on the actual pair-list setup
 88: 
 88: This run will generate roughly 0 Mb of data
-88: 
-88: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
-88:   You are using a plain Coulomb cut-off, which might produce artifacts.
-88:   You might want to consider using PME electrostatics.
-88: 
-88: 
-88: 
-88: There were 3 NOTEs
 88: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 88: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 88: 
@@ -324769,7 +324672,7 @@
 88:                Core t (s)   Wall t (s)        (%)
 88:        Time:        0.001        0.001       96.7
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1490.226        0.016
+88: Performance:     1558.066        0.015
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 88: 
@@ -324824,9 +324727,9 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.6
+88:        Time:        0.001        0.001       96.7
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1440.401        0.017
+88: Performance:     1497.835        0.016
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 88: 
@@ -324881,18 +324784,18 @@
 88: Writing final coordinates.
 88: 
 88:                Core t (s)   Wall t (s)        (%)
-88:        Time:        0.001        0.001       96.5
+88:        Time:        0.001        0.001       96.8
 88:                  (ns/day)    (hour/ns)
-88: Performance:     1434.364        0.017
+88: Performance:     1634.977        0.015
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 88: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
-88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (861 ms)
-88: [----------] 13 tests from PropagatorsWithConstraints/PeriodicActionsTest (11609 ms total)
+88: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (847 ms)
+88: [----------] 13 tests from PropagatorsWithConstraints/PeriodicActionsTest (12324 ms total)
 88: 
 88: [----------] Global test environment tear-down
-88: [==========] 13 tests from 1 test suite ran. (11620 ms total)
+88: [==========] 13 tests from 1 test suite ran. (12334 ms total)
 88: [  PASSED  ] 13 tests.
-88/96 Test #88: MdrunCoordinationConstraintsTests1Rank .......   Passed   11.81 sec
+88/96 Test #88: MdrunCoordinationConstraintsTests1Rank .......   Passed   12.52 sec
 test 89
       Start 89: MdrunCoordinationConstraintsTests2Ranks
 
@@ -324963,18 +324866,18 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 1.6%.
-89:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+89:  Average load imbalance: 1.0%.
+89:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
+89:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 89: 
 89: 
-89: NOTE: 26 % of the run time was spent communicating energies,
+89: NOTE: 27 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      192.4
+89:        Time:        0.002        0.001      192.5
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1371.154        0.018
+89: Performance:     1277.336        0.019
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -325035,27 +324938,27 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 1.1%.
-89:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
+89:  Average load imbalance: 0.9%.
+89:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
 89:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 89: 
 89: 
 89: NOTE: 10 % of the run time was spent in domain decomposition,
-89:       5 % of the run time was spent in pair search,
+89:       4 % of the run time was spent in pair search,
 89:       you might want to increase nstlist (this has no effect on accuracy)
 89: 
 89: NOTE: 28 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      191.1
+89:        Time:        0.002        0.001      191.4
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1616.742        0.015
+89: Performance:     1572.583        0.015
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Last energy frame read 16 time    0.016         
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -325086,12 +324989,16 @@
 89: 
 89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
 89: 
+89: Note that mdrun will redetermine rlist based on the actual pair-list setup
+89: 
 89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
 89: 
 89: 
 89: 
+89: This run will generate roughly 0 Mb of data
+89: 
 89: NOTE 5 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 89:   COM removal frequency is set to (5).
 89:   Other settings require a global communication frequency of 4.
@@ -325101,10 +325008,6 @@
 89: 
 89: 
 89: There were 5 NOTEs
-89: 
-89: Note that mdrun will redetermine rlist based on the actual pair-list setup
-89: 
-89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Can not increase nstlist because an NVE ensemble is used
 89: Using 2 MPI processes
@@ -325123,27 +325026,27 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 1.4%.
-89:  The balanceable part of the MD step is 38%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.5%.
+89:  Average load imbalance: 0.8%.
+89:  The balanceable part of the MD step is 39%, load imbalance is computed from this.
+89:  Part of the total run time spent waiting due to load imbalance: 0.3%.
 89: 
 89: 
-89: NOTE: 11 % of the run time was spent in domain decomposition,
-89:       6 % of the run time was spent in pair search,
+89: NOTE: 13 % of the run time was spent in domain decomposition,
+89:       5 % of the run time was spent in pair search,
 89:       you might want to increase nstlist (this has no effect on accuracy)
 89: 
-89: NOTE: 28 % of the run time was spent communicating energies,
+89: NOTE: 26 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      190.3
+89:        Time:        0.002        0.001      190.6
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1729.775        0.014
+89: Performance:     1750.417        0.014
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -325177,6 +325080,8 @@
 89: 
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
+89: This run will generate roughly 0 Mb of data
+89: 
 89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -325192,8 +325097,6 @@
 89: 
 89: 
 89: There were 5 NOTEs
-89: 
-89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Can not increase nstlist because an NVE ensemble is used
 89: Using 2 MPI processes
@@ -325212,24 +325115,24 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 1.9%.
-89:  The balanceable part of the MD step is 37%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+89:  Average load imbalance: 1.3%.
+89:  The balanceable part of the MD step is 38%, load imbalance is computed from this.
+89:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 89: 
 89: 
-89: NOTE: 11 % of the run time was spent in domain decomposition,
+89: NOTE: 10 % of the run time was spent in domain decomposition,
 89:       5 % of the run time was spent in pair search,
 89:       you might want to increase nstlist (this has no effect on accuracy)
 89: 
-89: NOTE: 28 % of the run time was spent communicating energies,
+89: NOTE: 29 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      190.0
+89:        Time:        0.002        0.001      189.7
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1791.391        0.013
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
+89: Performance:     1756.156        0.014
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_POpened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
+89: eriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 89: 
@@ -325258,8 +325161,6 @@
 89:   determining the Verlet buffer size
 89: 
 89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-89: 
 89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -325276,6 +325177,8 @@
 89: 
 89: There were 5 NOTEs
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
 89: 
 89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
@@ -325301,22 +325204,22 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 2.6%.
-89:  The balanceable part of the MD step is 37%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 1.0%.
+89:  Average load imbalance: 1.6%.
+89:  The balanceable part of the MD step is 39%, load imbalance is computed from this.
+89:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 89: 
 89: 
 89: NOTE: 11 % of the run time was spent in domain decomposition,
 89:       5 % of the run time was spent in pair search,
 89:       you might want to increase nstlist (this has no effect on accuracy)
 89: 
-89: NOTE: 28 % of the run time was spent communicating energies,
+89: NOTE: 29 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      189.5
+89:        Time:        0.002        0.001      190.2
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1760.421        0.014
+89: Performance:     1763.950        0.014
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
@@ -325347,16 +325250,6 @@
 89:   determining the Verlet buffer size
 89: 
 89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-89: 
-89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
-89: 
-89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
-89: 
-89: Note that mdrun will redetermine rlist based on the actual pair-list setup
-89: 
-89: This run will generate roughly 0 Mb of data
-89: 
 89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -325372,6 +325265,16 @@
 89: 
 89: 
 89: There were 5 NOTEs
+89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+89: 
+89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
+89: 
+89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
+89: 
+89: Note that mdrun will redetermine rlist based on the actual pair-list setup
+89: 
+89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Can not increase nstlist because an NVE ensemble is used
 89: Using 2 MPI processes
@@ -325390,27 +325293,27 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 1.1%.
+89:  Average load imbalance: 1.9%.
 89:  The balanceable part of the MD step is 38%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.4%.
+89:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 89: 
 89: 
 89: NOTE: 11 % of the run time was spent in domain decomposition,
 89:       5 % of the run time was spent in pair search,
 89:       you might want to increase nstlist (this has no effect on accuracy)
 89: 
-89: NOTE: 28 % of the run time was spent communicating energies,
+89: NOTE: 29 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      189.7
+89:        Time:        0.002        0.001      189.8
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1789.830        0.013
+89: Performance:     1764.202        0.014
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_POpened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-89: eriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (880 ms)
+89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (884 ms)
 89: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -325437,12 +325340,6 @@
 89:   determining the Verlet buffer size
 89: 
 89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-89: 
-89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
-89: 
-89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
-89: 
 89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -325451,6 +325348,12 @@
 89: 
 89: There were 4 NOTEs
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+89: 
+89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
+89: 
+89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
+89: 
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
 89: This run will generate roughly 0 Mb of data
@@ -325472,18 +325375,18 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 1.3%.
-89:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+89:  Average load imbalance: 0.2%.
+89:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
+89:  Part of the total run time spent waiting due to load imbalance: 0.1%.
 89: 
 89: 
 89: NOTE: 26 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      192.1
+89:        Time:        0.002        0.001      191.8
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1328.144        0.018
+89: Performance:     1342.324        0.018
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -325509,8 +325412,6 @@
 89:   determining the Verlet buffer size
 89: 
 89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-89: 
 89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -325519,6 +325420,8 @@
 89: 
 89: There were 4 NOTEs
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
 89: 
 89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
@@ -325544,9 +325447,9 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 0.8%.
+89:  Average load imbalance: 0.3%.
 89:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.4%.
+89:  Part of the total run time spent waiting due to load imbalance: 0.2%.
 89: 
 89: 
 89: NOTE: 11 % of the run time was spent in domain decomposition,
@@ -325557,14 +325460,14 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      190.6
+89:        Time:        0.002        0.001      191.0
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1565.589        0.015
+89: Performance:     1526.600        0.016
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Last energy frame read 16 time    0.016         
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -325582,6 +325485,12 @@
 89: Excluding 2 bonded neighbours molecule type 'SOL'
 89: 
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
+89: Number of degrees of freedom in T-Coupling group System is 27.00
+89: 
+89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
+89:   NVE simulation: will use the initial temperature of 398.997 K for
+89:   determining the Verlet buffer size
+89: 
 89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
 89: 
@@ -325591,14 +325500,6 @@
 89: 
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
-89: This run will generate roughly 0 Mb of data
-89: Number of degrees of freedom in T-Coupling group System is 27.00
-89: 
-89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
-89:   NVE simulation: will use the initial temperature of 398.997 K for
-89:   determining the Verlet buffer size
-89: 
-89: 
 89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -325606,6 +325507,8 @@
 89: 
 89: 
 89: There were 4 NOTEs
+89: 
+89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Can not increase nstlist because an NVE ensemble is used
 89: Using 2 MPI processes
@@ -325624,25 +325527,27 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 0.3%.
-89:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.1%.
+89:  Average load imbalance: 0.7%.
+89:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
+89:  Part of the total run time spent waiting due to load imbalance: 0.3%.
 89: 
 89: 
-89: NOTE: 10 % of the run time was spent in domain decomposition,
+89: NOTE: 11 % of the run time was spent in domain decomposition,
 89:       5 % of the run time was spent in pair search,
 89:       you might want to increase nstlist (this has no effect on accuracy)
 89: 
-89: NOTE: 28 % of the run time was spent communicating energies,
+89: NOTE: 29 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      189.5
+89:        Time:        0.002        0.001      189.7
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1801.870        0.013
+89: Performance:     1684.373        0.014
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -325653,10 +325558,8 @@
 89:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 89:   setting nstcomm equal to nstcalcenergy for less overhead
 89: 
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 89: Generated 330891 of the 330891 non-bonded parameter combinations
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         Generating 1-4 interactions: fudge = 0.5
+89: Generating 1-4 interactions: fudge = 0.5
 89: 
 89: Generated 330891 of the 330891 1-4 parameter combinations
 89: 
@@ -325670,14 +325573,6 @@
 89:   determining the Verlet buffer size
 89: 
 89: 
-89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
-89:   You are using a plain Coulomb cut-off, which might produce artifacts.
-89:   You might want to consider using PME electrostatics.
-89: 
-89: 
-89: 
-89: There were 4 NOTEs
-89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
 89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
@@ -325687,6 +325582,14 @@
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
 89: This run will generate roughly 0 Mb of data
+89: 
+89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
+89:   You are using a plain Coulomb cut-off, which might produce artifacts.
+89:   You might want to consider using PME electrostatics.
+89: 
+89: 
+89: 
+89: There were 4 NOTEs
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Can not increase nstlist because an NVE ensemble is used
 89: Using 2 MPI processes
@@ -325705,25 +325608,25 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 1.1%.
-89:  The balanceable part of the MD step is 40%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.4%.
+89:  Average load imbalance: 0.3%.
+89:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
+89:  Part of the total run time spent waiting due to load imbalance: 0.1%.
 89: 
 89: 
-89: NOTE: 11 % of the run time was spent in domain decomposition,
-89:       4 % of the run time was spent in pair search,
+89: NOTE: 10 % of the run time was spent in domain decomposition,
+89:       5 % of the run time was spent in pair search,
 89:       you might want to increase nstlist (this has no effect on accuracy)
 89: 
 89: NOTE: 32 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      190.3
+89:        Time:        0.002        0.001      189.9
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1554.136        0.015
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
+89: Performance:     1597.250        0.015
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -325786,21 +325689,25 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 0.3%.
-89:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.1%.
+89:  Average load imbalance: 1.2%.
+89:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+89:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 89: 
 89: 
+89: NOTE: 10 % of the run time was spent in domain decomposition,
+89:       5 % of the run time was spent in pair search,
+89:       you might want to increase nstlist (this has no effect on accuracy)
+89: 
 89: NOTE: 32 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      189.8
+89:        Time:        0.002        0.001      189.4
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1615.046        0.015
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
+89: Performance:     1679.322        0.014
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -325836,6 +325743,8 @@
 89: 
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
+89: This run will generate roughly 0 Mb of data
+89: 
 89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -325843,8 +325752,6 @@
 89: 
 89: 
 89: There were 4 NOTEs
-89: 
-89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Can not increase nstlist because an NVE ensemble is used
 89: Using 2 MPI processes
@@ -325863,27 +325770,27 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 0.7%.
-89:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.3%.
+89:  Average load imbalance: 0.3%.
+89:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
+89:  Part of the total run time spent waiting due to load imbalance: 0.1%.
 89: 
 89: 
-89: NOTE: 11 % of the run time was spent in domain decomposition,
-89:       5 % of the run time was spent in pair search,
+89: NOTE: 13 % of the run time was spent in domain decomposition,
+89:       4 % of the run time was spent in pair search,
 89:       you might want to increase nstlist (this has no effect on accuracy)
 89: 
-89: NOTE: 31 % of the run time was spent communicating energies,
+89: NOTE: 30 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      189.4
+89:        Time:        0.002        0.001      190.4
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1651.412        0.015
+89: Performance:     1517.761        0.016
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
-89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (833 ms)
+89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (853 ms)
 89: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -325903,16 +325810,6 @@
 89: Excluding 2 bonded neighbours molecule type 'SOL'
 89: 
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
-89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-89: 
-89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
-89: 
-89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
-89: 
-89: Note that mdrun will redetermine rlist based on the actual pair-list setup
-89: 
-89: This run will generate roughly 0 Mb of data
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -325927,6 +325824,16 @@
 89: 
 89: 
 89: There were 4 NOTEs
+89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+89: 
+89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
+89: 
+89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
+89: 
+89: Note that mdrun will redetermine rlist based on the actual pair-list setup
+89: 
+89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Can not increase nstlist because an NVE ensemble is used
 89: Using 2 MPI processes
@@ -325945,22 +325852,22 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 0.7%.
+89:  Average load imbalance: 0.2%.
 89:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.4%.
+89:  Part of the total run time spent waiting due to load imbalance: 0.1%.
 89: 
 89: 
-89: NOTE: 10 % of the run time was spent in domain decomposition,
+89: NOTE: 14 % of the run time was spent in domain decomposition,
 89:       4 % of the run time was spent in pair search,
 89:       you might want to increase nstlist (this has no effect on accuracy)
 89: 
-89: NOTE: 27 % of the run time was spent communicating energies,
+89: NOTE: 24 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      191.4
+89:        Time:        0.002        0.001      189.1
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1324.574        0.018
+89: Performance:     1246.453        0.019
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -326021,27 +325928,27 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 0.7%.
-89:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.3%.
+89:  Average load imbalance: 0.8%.
+89:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+89:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 89: 
 89: 
 89: NOTE: 11 % of the run time was spent in domain decomposition,
 89:       4 % of the run time was spent in pair search,
 89:       you might want to increase nstlist (this has no effect on accuracy)
 89: 
-89: NOTE: 28 % of the run time was spent communicating energies,
+89: NOTE: 27 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      190.8
+89:        Time:        0.002        0.001      191.1
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1476.652        0.016
+89: Performance:     1521.322        0.016
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      1 time    0.001         
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Reading energy frame      5 time    0.005         
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Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Last energy frame read 16 time    0.016         
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      7 time    0.007         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -326066,8 +325973,6 @@
 89:   determining the Verlet buffer size
 89: 
 89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-89: 
 89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -326076,6 +325981,8 @@
 89: 
 89: There were 4 NOTEs
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
 89: 
 89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
@@ -326101,27 +326008,23 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 1.0%.
-89:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+89:  Average load imbalance: 0.9%.
+89:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
 89:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 89: 
 89: 
-89: NOTE: 11 % of the run time was spent in domain decomposition,
-89:       5 % of the run time was spent in pair search,
-89:       you might want to increase nstlist (this has no effect on accuracy)
-89: 
-89: NOTE: 28 % of the run time was spent communicating energies,
+89: NOTE: 30 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      189.8
+89:        Time:        0.002        0.001      189.5
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1709.851        0.014
+89: Performance:     1723.002        0.014
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -326147,14 +326050,6 @@
 89:   determining the Verlet buffer size
 89: 
 89: 
-89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
-89:   You are using a plain Coulomb cut-off, which might produce artifacts.
-89:   You might want to consider using PME electrostatics.
-89: 
-89: 
-89: 
-89: There were 4 NOTEs
-89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
 89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
@@ -326164,6 +326059,14 @@
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
 89: This run will generate roughly 0 Mb of data
+89: 
+89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
+89:   You are using a plain Coulomb cut-off, which might produce artifacts.
+89:   You might want to consider using PME electrostatics.
+89: 
+89: 
+89: 
+89: There were 4 NOTEs
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Can not increase nstlist because an NVE ensemble is used
 89: Using 2 MPI processes
@@ -326182,22 +326085,24 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 2.2%.
+89:  Average load imbalance: 0.8%.
 89:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 1.0%.
+89:  Part of the total run time spent waiting due to load imbalance: 0.3%.
 89: 
 89: 
-89: NOTE: 12 % of the run time was spent in domain decomposition,
+89: NOTE: 11 % of the run time was spent in domain decomposition,
 89:       4 % of the run time was spent in pair search,
 89:       you might want to increase nstlist (this has no effect on accuracy)
 89: 
-89: NOTE: 31 % of the run time was spent communicating energies,
+89: NOTE: 32 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      190.5
+89:        Time:        0.002        0.001      190.3
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1567.581        0.015
+89: Performance:     1639.110        0.015
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 89: 
@@ -326211,8 +326116,6 @@
 89:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 89:   setting nstcomm equal to nstcalcenergy for less overhead
 89: 
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 89: Generated 330891 of the 330891 non-bonded parameter combinations
 89: Generating 1-4 interactions: fudge = 0.5
 89: 
@@ -326228,6 +326131,14 @@
 89:   determining the Verlet buffer size
 89: 
 89: 
+89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
+89:   You are using a plain Coulomb cut-off, which might produce artifacts.
+89:   You might want to consider using PME electrostatics.
+89: 
+89: 
+89: 
+89: There were 4 NOTEs
+89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
 89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
@@ -326237,14 +326148,6 @@
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
 89: This run will generate roughly 0 Mb of data
-89: 
-89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
-89:   You are using a plain Coulomb cut-off, which might produce artifacts.
-89:   You might want to consider using PME electrostatics.
-89: 
-89: 
-89: 
-89: There were 4 NOTEs
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Can not increase nstlist because an NVE ensemble is used
 89: Using 2 MPI processes
@@ -326263,9 +326166,9 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 0.8%.
-89:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.3%.
+89:  Average load imbalance: 1.2%.
+89:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
+89:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 89: 
 89: 
 89: NOTE: 10 % of the run time was spent in domain decomposition,
@@ -326276,13 +326179,13 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      189.7
+89:        Time:        0.002        0.001      190.4
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1601.818        0.015
+89: Performance:     1568.579        0.015
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_POpened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
+89: eriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -326309,6 +326212,14 @@
 89:   determining the Verlet buffer size
 89: 
 89: 
+89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
+89:   You are using a plain Coulomb cut-off, which might produce artifacts.
+89:   You might want to consider using PME electrostatics.
+89: 
+89: 
+89: 
+89: There were 4 NOTEs
+89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
 89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
@@ -326318,14 +326229,6 @@
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
 89: This run will generate roughly 0 Mb of data
-89: 
-89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
-89:   You are using a plain Coulomb cut-off, which might produce artifacts.
-89:   You might want to consider using PME electrostatics.
-89: 
-89: 
-89: 
-89: There were 4 NOTEs
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Can not increase nstlist because an NVE ensemble is used
 89: Using 2 MPI processes
@@ -326344,27 +326247,27 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 1.2%.
+89:  Average load imbalance: 0.7%.
 89:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.5%.
+89:  Part of the total run time spent waiting due to load imbalance: 0.3%.
 89: 
 89: 
-89: NOTE: 10 % of the run time was spent in domain decomposition,
-89:       5 % of the run time was spent in pair search,
+89: NOTE: 14 % of the run time was spent in domain decomposition,
+89:       4 % of the run time was spent in pair search,
 89:       you might want to increase nstlist (this has no effect on accuracy)
 89: 
-89: NOTE: 32 % of the run time was spent communicating energies,
+89: NOTE: 31 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      190.0
+89:        Time:        0.002        0.001      190.3
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1613.777        0.015
+89: Performance:     1514.217        0.016
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
-89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (832 ms)
+89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (839 ms)
 89: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -326388,14 +326291,6 @@
 89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 89: 
-89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
-89:   You are using a plain Coulomb cut-off, which might produce artifacts.
-89:   You might want to consider using PME electrostatics.
-89: 
-89: 
-89: 
-89: There were 3 NOTEs
-89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 89: 
 89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
@@ -326403,6 +326298,14 @@
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
 89: This run will generate roughly 0 Mb of data
+89: 
+89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
+89:   You are using a plain Coulomb cut-off, which might produce artifacts.
+89:   You might want to consider using PME electrostatics.
+89: 
+89: 
+89: 
+89: There were 3 NOTEs
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 89: 
@@ -326423,9 +326326,9 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      191.5
+89:        Time:        0.002        0.001      191.6
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1483.051        0.016
+89: Performance:     1384.559        0.017
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -326448,21 +326351,21 @@
 89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 89: 
-89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
-89:   You are using a plain Coulomb cut-off, which might produce artifacts.
-89:   You might want to consider using PME electrostatics.
-89: 
-89: 
-89: 
-89: There were 3 NOTEs
-89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 89: 
 89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
 89: 
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
+89: 
+89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
+89:   You are using a plain Coulomb cut-off, which might produce artifacts.
+89:   You might want to consider using PME electrostatics.
+89: 
+89: 
 89: This run will generate roughly 0 Mb of data
+89: 
+89: There were 3 NOTEs
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 89: 
@@ -326479,18 +326382,18 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 8 % of the run time was spent communicating energies,
+89: NOTE: 6 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      190.4
+89:        Time:        0.003        0.001      192.9
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1674.074        0.014
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
+89: Performance:     1107.522        0.022
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
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Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -326510,12 +326413,22 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+89: 
+89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
+89: 
+89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
+89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
 89: 
 89: 
 89: 
+89: Note that mdrun will redetermine rlist based on the actual pair-list setup
+89: 
+89: This run will generate roughly 0 Mb of data
+89: 
 89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 89:   COM removal frequency is set to (5).
 89:   Other settings require a global communication frequency of 2.
@@ -326525,16 +326438,6 @@
 89: 
 89: 
 89: There were 4 NOTEs
-89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-89: 
-89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
-89: 
-89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
-89: 
-89: Note that mdrun will redetermine rlist based on the actual pair-list setup
-89: 
-89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 89: 
@@ -326555,14 +326458,14 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.001        0.001      189.1
+89:        Time:        0.002        0.001      190.1
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1891.784        0.013
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
+89: Performance:     1692.006        0.014
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_POpened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+89: eriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
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Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -326583,6 +326486,16 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+89: 
+89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
+89: 
+89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
+89: 
+89: Note that mdrun will redetermine rlist based on the actual pair-list setup
+89: 
+89: This run will generate roughly 0 Mb of data
+89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -326598,16 +326511,6 @@
 89: 
 89: 
 89: There were 4 NOTEs
-89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-89: 
-89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
-89: 
-89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
-89: 
-89: Note that mdrun will redetermine rlist based on the actual pair-list setup
-89: 
-89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 89: 
@@ -326628,12 +326531,12 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.001        0.001      189.1
+89:        Time:        0.002        0.001      190.2
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1856.439        0.013
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
+89: Performance:     1680.467        0.014
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -326656,8 +326559,18 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+89: 
+89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
+89: 
+89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
+89: 
+89: Note that mdrun will redetermine rlist based on the actual pair-list setup
+89:   You are using a plain Coulomb cut-off, which might p
+89: This run will generate roughly 0 Mb of data
+89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
-89:   You are using a plain Coulomb cut-off, which might produce artifacts.
+89: roduce artifacts.
 89:   You might want to consider using PME electrostatics.
 89: 
 89: 
@@ -326671,16 +326584,6 @@
 89: 
 89: 
 89: There were 4 NOTEs
-89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-89: 
-89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
-89: 
-89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
-89: 
-89: Note that mdrun will redetermine rlist based on the actual pair-list setup
-89: 
-89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 89: 
@@ -326697,16 +326600,16 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 5 % of the run time was spent communicating energies,
+89: NOTE: 6 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      189.7
+89:        Time:        0.002        0.001      190.0
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1770.286        0.014
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
+89: Performance:     1646.997        0.015
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -326729,12 +326632,22 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+89: 
+89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
+89: 
+89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
+89: 
+89: Note that mdrun will redetermine rlist based on the actual pair-list setup
+89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
 89: 
 89: 
 89: 
+89: This run will generate roughly 0 Mb of data
+89: 
 89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 89:   COM removal frequency is set to (5).
 89:   Other settings require a global communication frequency of 2.
@@ -326744,16 +326657,6 @@
 89: 
 89: 
 89: There were 4 NOTEs
-89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-89: 
-89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
-89: 
-89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
-89: 
-89: Note that mdrun will redetermine rlist based on the actual pair-list setup
-89: 
-89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 89: 
@@ -326774,14 +326677,14 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      189.7
-89:                  (ns/day)    (hour/ns)
-89: Performance:     1755.905        0.014
+89:        Time:        0.002        0.001      191.0
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
+89:                  (ns/day)    (hour/ns)
+89: Performance:     1464.193        0.016
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
+89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (844 ms)
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
-89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (831 ms)
 89: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -326803,14 +326706,6 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
-89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
-89:   You are using a plain Coulomb cut-off, which might produce artifacts.
-89:   You might want to consider using PME electrostatics.
-89: 
-89: 
-89: 
-89: There were 3 NOTEs
-89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -326819,6 +326714,14 @@
 89: 
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
+89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
+89:   You are using a plain Coulomb cut-off, which might produce artifacts.
+89:   You might want to consider using PME electrostatics.
+89: 
+89: 
+89: 
+89: 
+89: There were 3 NOTEs
 89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
@@ -326840,9 +326743,9 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      191.0
+89:        Time:        0.002        0.001      191.1
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1354.572        0.018
+89: Performance:     1260.093        0.019
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -326863,14 +326766,6 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
-89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
-89:   You are using a plain Coulomb cut-off, which might produce artifacts.
-89:   You might want to consider using PME electrostatics.
-89: 
-89: 
-89: 
-89: There were 3 NOTEs
-89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -326880,6 +326775,14 @@
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
 89: This run will generate roughly 0 Mb of data
+89: 
+89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
+89:   You are using a plain Coulomb cut-off, which might produce artifacts.
+89:   You might want to consider using PME electrostatics.
+89: 
+89: 
+89: 
+89: There were 3 NOTEs
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 89: 
@@ -326896,18 +326799,18 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 7 % of the run time was spent communicating energies,
+89: NOTE: 8 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      189.8
+89:        Time:        0.002        0.001      190.2
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1652.520        0.015
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
+89: Performance:     1555.509        0.015
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_POpened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
+89: eriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Last energy frame read 16 time    0.016         
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -326929,6 +326832,12 @@
 89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 89: 
+89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
+89: 
+89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
+89: 
+89: Note that mdrun will redetermine rlist based on the actual pair-list setup
+89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -326937,12 +326846,6 @@
 89: 
 89: There were 3 NOTEs
 89: 
-89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
-89: 
-89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
-89: 
-89: Note that mdrun will redetermine rlist based on the actual pair-list setup
-89: 
 89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
@@ -326964,14 +326867,14 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.001        0.001      188.6
+89:        Time:        0.002        0.001      188.5
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1867.696        0.013
+89: Performance:     1701.586        0.014
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -326992,6 +326895,14 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
+89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
+89:   You are using a plain Coulomb cut-off, which might produce artifacts.
+89:   You might want to consider using PME electrostatics.
+89: 
+89: 
+89: 
+89: There were 3 NOTEs
+89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -327001,14 +326912,6 @@
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
 89: This run will generate roughly 0 Mb of data
-89: 
-89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
-89:   You are using a plain Coulomb cut-off, which might produce artifacts.
-89:   You might want to consider using PME electrostatics.
-89: 
-89: 
-89: 
-89: There were 3 NOTEs
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 89: 
@@ -327029,12 +326932,12 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      189.0
+89:        Time:        0.002        0.001      188.7
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1695.032        0.014
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
+89: Performance:     1767.746        0.014
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -327090,13 +326993,13 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 7 % of the run time was spent communicating energies,
+89: NOTE: 8 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      188.3
+89:        Time:        0.002        0.001      189.1
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1636.497        0.015
+89: Performance:     1750.417        0.014
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
@@ -327112,8 +327015,8 @@
 89:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 89:   setting nstcomm equal to nstcalcenergy for less overhead
 89: 
-89: Generated 330891 of the 330891 non-bonded parameter combinations
 89: Generating 1-4 interactions: fudge = 0.5
+89: Generated 330891 of the 330891 non-bonded parameter combinations
 89: 
 89: Generated 330891 of the 330891 1-4 parameter combinations
 89: 
@@ -327122,6 +327025,14 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
+89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
+89:   You are using a plain Coulomb cut-off, which might produce artifacts.
+89:   You might want to consider using PME electrostatics.
+89: 
+89: 
+89: 
+89: There were 3 NOTEs
+89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -327131,14 +327042,6 @@
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
 89: This run will generate roughly 0 Mb of data
-89: 
-89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
-89:   You are using a plain Coulomb cut-off, which might produce artifacts.
-89:   You might want to consider using PME electrostatics.
-89: 
-89: 
-89: 
-89: There were 3 NOTEs
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 89: 
@@ -327155,18 +327058,18 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 7 % of the run time was spent communicating energies,
+89: NOTE: 8 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      189.0
+89:        Time:        0.002        0.001      189.2
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1744.222        0.014
+89: Performance:     1593.738        0.015
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
-89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (827 ms)
+89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (851 ms)
 89: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
@@ -327188,14 +327091,6 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
-89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
-89:   You are using a plain Coulomb cut-off, which might produce artifacts.
-89:   You might want to consider using PME electrostatics.
-89: 
-89: 
-89: 
-89: There were 3 NOTEs
-89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -327205,6 +327100,14 @@
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
 89: This run will generate roughly 0 Mb of data
+89: 
+89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
+89:   You are using a plain Coulomb cut-off, which might produce artifacts.
+89:   You might want to consider using PME electrostatics.
+89: 
+89: 
+89: 
+89: There were 3 NOTEs
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 89: 
@@ -327221,13 +327124,13 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 6 % of the run time was spent communicating energies,
+89: NOTE: 7 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
 89:        Time:        0.002        0.001      191.5
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1370.391        0.018
+89: Performance:     1389.242        0.017
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -327281,18 +327184,18 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 7 % of the run time was spent communicating energies,
+89: NOTE: 8 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      189.9
+89:        Time:        0.002        0.001      190.2
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1583.497        0.015
+89: Performance:     1583.293        0.015
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Last energy frame read 16 time    0.016         
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Last energy frame read 16 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -327312,9 +327215,6 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-89: 
-89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -327322,6 +327222,9 @@
 89: 
 89: 
 89: There were 3 NOTEs
+89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 89: 
 89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
@@ -327345,18 +327248,18 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 9 % of the run time was spent communicating energies,
+89: NOTE: 8 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      188.9
+89:        Time:        0.002        0.001      189.3
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1815.945        0.013
+89: Performance:     1741.757        0.014
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -327410,17 +327313,17 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 7 % of the run time was spent communicating energies,
+89: NOTE: 8 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      188.5
+89:        Time:        0.002        0.001      188.6
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1725.898        0.014
+89: Performance:     1665.475        0.014
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -327442,14 +327345,6 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
-89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
-89:   You are using a plain Coulomb cut-off, which might produce artifacts.
-89:   You might want to consider using PME electrostatics.
-89: 
-89: 
-89: 
-89: There were 3 NOTEs
-89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -327459,6 +327354,14 @@
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
 89: This run will generate roughly 0 Mb of data
+89: 
+89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
+89:   You are using a plain Coulomb cut-off, which might produce artifacts.
+89:   You might want to consider using PME electrostatics.
+89: 
+89: 
+89: 
+89: There were 3 NOTEs
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 89: 
@@ -327475,17 +327378,17 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 7 % of the run time was spent communicating energies,
+89: NOTE: 8 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      188.9
+89:        Time:        0.002        0.001      189.3
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1685.986        0.014
+89: Performance:     1643.482        0.015
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -327507,14 +327410,6 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
-89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
-89:   You are using a plain Coulomb cut-off, which might produce artifacts.
-89:   You might want to consider using PME electrostatics.
-89: 
-89: 
-89: 
-89: There were 3 NOTEs
-89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -327523,7 +327418,15 @@
 89: 
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
+89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
+89:   You are using a plain Coulomb cut-off, which might produce artifacts.
+89:   You might want to consider using PME electrostatics.
+89: 
+89: 
+89: 
 89: This run will generate roughly 0 Mb of data
+89: 
+89: There were 3 NOTEs
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 89: 
@@ -327544,14 +327447,14 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      189.2
+89:        Time:        0.002        0.001      189.6
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1642.825        0.015
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
+89: Performance:     1470.660        0.016
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
-89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (830 ms)
+89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (837 ms)
 89: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
@@ -327573,14 +327476,6 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
-89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
-89:   You are using a plain Coulomb cut-off, which might produce artifacts.
-89:   You might want to consider using PME electrostatics.
-89: 
-89: 
-89: 
-89: There were 3 NOTEs
-89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -327589,7 +327484,15 @@
 89: 
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
+89: 
+89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
+89:   You are using a plain Coulomb cut-off, which might produce artifacts.
+89:   You might want to consider using PME electrostatics.
+89: 
+89: 
 89: This run will generate roughly 0 Mb of data
+89: 
+89: There were 3 NOTEs
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 89: 
@@ -327606,13 +327509,13 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 6 % of the run time was spent communicating energies,
+89: NOTE: 7 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      193.2
+89:        Time:        0.002        0.001      193.0
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1368.261        0.018
+89: Performance:     1340.425        0.018
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -327656,7 +327559,9 @@
 89: Using 2 MPI processes
 89: Using 1 OpenMP thread per MPI process
 89: 
-89: 
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 89: NOTE: The number of threads is not equal to the number of (logical) cpus
 89:       and the -pin option is set to auto: will not pin threads to cpus.
 89:       This can lead to significant performance degradation.
@@ -327666,18 +327571,16 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 7 % of the run time was spent communicating energies,
+89: NOTE: 8 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      191.9
+89:        Time:        0.002        0.001      191.6
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1592.296        0.015
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
+89: Performance:     1562.809        0.015
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -327738,15 +327641,18 @@
 89: 
 89: Writing final coordinates.
 89: 
+89: NOTE: 5 % of the run time was spent communicating energies,
+89:       you might want to increase some nst* mdp options
+89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      191.0
+89:        Time:        0.002        0.001      190.5
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1835.422        0.013
+89: Performance:     1778.206        0.013
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -327767,8 +327673,6 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -327785,6 +327689,8 @@
 89: 
 89: There were 4 NOTEs
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 89: 
 89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
@@ -327809,9 +327715,9 @@
 89: Writing final coordinates.
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      188.3
+89:        Time:        0.002        0.001      191.1
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1703.940        0.014
+89: Performance:     1679.551        0.014
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
@@ -327839,6 +327745,14 @@
 89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 89: 
+89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
+89: 
+89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
+89: 
+89: Note that mdrun will redetermine rlist based on the actual pair-list setup
+89: 
+89: This run will generate roughly 0 Mb of data
+89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -327854,14 +327768,6 @@
 89: 
 89: 
 89: There were 4 NOTEs
-89: 
-89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
-89: 
-89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
-89: 
-89: Note that mdrun will redetermine rlist based on the actual pair-list setup
-89: 
-89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 89: 
@@ -327879,9 +327785,9 @@
 89: Writing final coordinates.
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      190.7
+89:        Time:        0.002        0.001      190.6
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1721.798        0.014
+89: Performance:     1737.581        0.014
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
@@ -327907,6 +327813,8 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -327923,8 +327831,6 @@
 89: 
 89: There were 4 NOTEs
 89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 89: 
 89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
@@ -327951,12 +327857,12 @@
 89:                Core t (s)   Wall t (s)        (%)
 89:        Time:        0.002        0.001      190.9
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1673.165        0.014
+89: Performance:     1801.870        0.013
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
-89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (836 ms)
+89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (873 ms)
 89: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -327980,14 +327886,6 @@
 89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 89: 
-89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
-89: 
-89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
-89: 
-89: Note that mdrun will redetermine rlist based on the actual pair-list setup
-89: 
-89: This run will generate roughly 0 Mb of data
-89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -327995,6 +327893,14 @@
 89: 
 89: 
 89: There were 3 NOTEs
+89: 
+89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
+89: 
+89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
+89: 
+89: Note that mdrun will redetermine rlist based on the actual pair-list setup
+89: 
+89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 89: 
@@ -328015,9 +327921,9 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      192.4
+89:        Time:        0.002        0.001      192.1
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1383.781        0.017
+89: Performance:     1347.756        0.018
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -328075,14 +327981,14 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      191.4
+89:        Time:        0.002        0.001      191.5
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1539.186        0.016
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
+89: Performance:     1526.033        0.016
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_POpened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         eriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -328139,14 +328045,14 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      190.3
+89:        Time:        0.002        0.001      190.0
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1728.077        0.014
+89: Performance:     1618.653        0.015
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_POpened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         eriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -328173,8 +328079,6 @@
 89: 
 89: 
 89: 
-89: There were 3 NOTEs
-89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -328183,6 +328087,8 @@
 89: 
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
+89: There were 3 NOTEs
+89: 
 89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
@@ -328200,16 +328106,16 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 6 % of the run time was spent communicating energies,
+89: NOTE: 7 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
 89:        Time:        0.002        0.001      190.5
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1651.191        0.015
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
+89: Performance:     1677.722        0.014
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -328222,8 +328128,8 @@
 89:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 89:   setting nstcomm equal to nstcalcenergy for less overhead
 89: 
-89: Generating 1-4 interactions: fudge = 0.5
 89: Generated 330891 of the 330891 non-bonded parameter combinations
+89: Generating 1-4 interactions: fudge = 0.5
 89: 
 89: Generated 330891 of the 330891 1-4 parameter combinations
 89: 
@@ -328265,13 +328171,13 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 6 % of the run time was spent communicating energies,
+89: NOTE: 7 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      190.1
+89:        Time:        0.002        0.001      190.9
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1624.843        0.015
+89: Performance:     1542.462        0.016
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
@@ -328297,6 +328203,8 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -328305,8 +328213,6 @@
 89: 
 89: There were 3 NOTEs
 89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 89: 
 89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
@@ -328330,18 +328236,18 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 6 % of the run time was spent communicating energies,
+89: NOTE: 7 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      190.3
+89:        Time:        0.002        0.001      190.8
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1657.856        0.014
+89: Performance:     1594.976        0.015
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
-89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (829 ms)
+89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (837 ms)
 89: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
@@ -328353,8 +328259,8 @@
 89: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 89:   Setting nstcalcenergy (100) equal to nstenergy (1)
 89: 
-89: Generating 1-4 interactions: fudge = 0.5
 89: Generated 330891 of the 330891 non-bonded parameter combinations
+89: Generating 1-4 interactions: fudge = 0.5
 89: 
 89: Generated 330891 of the 330891 1-4 parameter combinations
 89: 
@@ -328363,8 +328269,6 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -328373,6 +328277,8 @@
 89: 
 89: There were 3 NOTEs
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 89: 
 89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
@@ -328400,9 +328306,9 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      191.4
+89:        Time:        0.002        0.001      193.2
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1361.608        0.018
+89: Performance:     1272.850        0.019
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -328460,14 +328366,14 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      191.7
+89:        Time:        0.002        0.001      191.6
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1481.802        0.016
+89: Performance:     1467.682        0.016
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
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Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
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Reading energy frame     12 time    0.012         
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Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
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Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
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Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Last energy frame read 16 time    0.016         
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
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Reading energy frame      6 time    0.006         
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Reading energy frame      9 time    0.009         
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Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Last energy frame read 16 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -328487,8 +328393,6 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -328497,6 +328401,8 @@
 89: 
 89: There were 3 NOTEs
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 89: 
 89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
@@ -328520,18 +328426,18 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 9 % of the run time was spent communicating energies,
+89: NOTE: 8 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      190.7
+89:        Time:        0.002        0.001      190.2
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1690.381        0.014
+89: Performance:     1590.857        0.015
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -328552,8 +328458,6 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -328562,6 +328466,8 @@
 89: 
 89: There were 3 NOTEs
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 89: 
 89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
@@ -328585,13 +328491,13 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 6 % of the run time was spent communicating energies,
+89: NOTE: 7 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      190.4
+89:        Time:        0.002        0.001      190.7
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1621.849        0.015
+89: Performance:     1617.166        0.015
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
@@ -328617,8 +328523,6 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -328627,6 +328531,8 @@
 89: 
 89: There were 3 NOTEs
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 89: 
 89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
@@ -328650,13 +328556,13 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 6 % of the run time was spent communicating energies,
+89: NOTE: 7 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      190.6
+89:        Time:        0.002        0.001      190.4
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1654.739        0.015
+89: Performance:     1580.247        0.015
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
@@ -328719,14 +328625,14 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      190.7
+89:        Time:        0.002        0.001      190.6
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1663.227        0.014
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
+89: Performance:     1704.175        0.014
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
-89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (824 ms)
+89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (836 ms)
 89: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
@@ -328753,6 +328659,8 @@
 89:   determining the Verlet buffer size
 89: 
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+89: 
 89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -328761,8 +328669,6 @@
 89: 
 89: There were 4 NOTEs
 89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
 89: 
 89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
@@ -328788,18 +328694,18 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 0.5%.
-89:  The balanceable part of the MD step is 59%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.3%.
+89:  Average load imbalance: 0.6%.
+89:  The balanceable part of the MD step is 62%, load imbalance is computed from this.
+89:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 89: 
 89: 
 89: NOTE: 8 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.003        0.001      188.0
+89:        Time:        0.003        0.002      188.3
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1003.599        0.024
+89: Performance:      940.046        0.026
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -328825,14 +328731,6 @@
 89:   determining the Verlet buffer size
 89: 
 89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-89: 
-89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
-89: 
-89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
-89: 
-89: Note that mdrun will redetermine rlist based on the actual pair-list setup
-89: 
 89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -328841,6 +328739,14 @@
 89: 
 89: There were 4 NOTEs
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+89: 
+89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
+89: 
+89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
+89: 
+89: Note that mdrun will redetermine rlist based on the actual pair-list setup
+89: 
 89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Can not increase nstlist because an NVE ensemble is used
@@ -328860,23 +328766,23 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 0.3%.
-89:  The balanceable part of the MD step is 58%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.2%.
+89:  Average load imbalance: 1.2%.
+89:  The balanceable part of the MD step is 57%, load imbalance is computed from this.
+89:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 89: 
 89: 
-89: NOTE: 9 % of the run time was spent communicating energies,
+89: NOTE: 10 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      188.2
+89:        Time:        0.003        0.001      188.7
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1106.925        0.022
+89: Performance:      984.120        0.024
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Last energy frame read 16 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -328901,6 +328807,16 @@
 89:   determining the Verlet buffer size
 89: 
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+89: 
+89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
+89: 
+89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
+89: 
+89: Note that mdrun will redetermine rlist based on the actual pair-list setup
+89: 
+89: This run will generate roughly 0 Mb of data
+89: 
 89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -328916,16 +328832,6 @@
 89: 
 89: 
 89: There were 5 NOTEs
-89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-89: 
-89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
-89: 
-89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
-89: 
-89: Note that mdrun will redetermine rlist based on the actual pair-list setup
-89: 
-89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Can not increase nstlist because an NVE ensemble is used
 89: Using 2 MPI processes
@@ -328944,23 +328850,23 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 1.4%.
-89:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+89:  Average load imbalance: 0.9%.
+89:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
+89:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 89: 
 89: 
-89: NOTE: 5 % of the run time was spent communicating energies,
+89: NOTE: 7 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      186.9
+89:        Time:        0.002        0.001      187.8
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1122.762        0.021
+89: Performance:     1113.729        0.022
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -328986,7 +328892,11 @@
 89:   determining the Verlet buffer size
 89: 
 89: 
-89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+89: 
+89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
+89: 
+89: aints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
 89: 
@@ -329001,11 +328911,7 @@
 89: 
 89: 
 89: There were 5 NOTEs
-89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-89: 
-89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
-89: 
+89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstr
 89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
 89: 
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
@@ -329029,18 +328935,18 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 1.2%.
-89:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.5%.
+89:  Average load imbalance: 1.6%.
+89:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
+89:  Part of the total run time spent waiting due to load imbalance: 0.8%.
 89: 
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      183.7
+89:        Time:        0.002        0.001      186.1
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1157.354        0.021
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
+89: Performance:     1165.234        0.021
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
@@ -329068,6 +328974,16 @@
 89:   determining the Verlet buffer size
 89: 
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+89: 
+89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
+89: 
+89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
+89: 
+89: Note that mdrun will redetermine rlist based on the actual pair-list setup
+89: 
+89: This run will generate roughly 0 Mb of data
+89: 
 89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -329083,16 +328999,6 @@
 89: 
 89: 
 89: There were 5 NOTEs
-89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-89: 
-89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
-89: 
-89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
-89: 
-89: Note that mdrun will redetermine rlist based on the actual pair-list setup
-89: 
-89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Can not increase nstlist because an NVE ensemble is used
 89: Using 2 MPI processes
@@ -329111,15 +329017,15 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 1.8%.
+89:  Average load imbalance: 1.1%.
 89:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+89:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 89: 
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      185.3
+89:        Time:        0.002        0.001      181.3
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1161.609        0.021
+89: Performance:     1155.942        0.021
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
@@ -329150,16 +329056,6 @@
 89:   determining the Verlet buffer size
 89: 
 89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-89: 
-89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
-89: 
-89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
-89: 
-89: Note that mdrun will redetermine rlist based on the actual pair-list setup
-89: 
-89: This run will generate roughly 0 Mb of data
-89: 
 89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -329175,6 +329071,16 @@
 89: 
 89: 
 89: There were 5 NOTEs
+89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+89: 
+89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
+89: 
+89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
+89: 
+89: Note that mdrun will redetermine rlist based on the actual pair-list setup
+89: 
+89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Can not increase nstlist because an NVE ensemble is used
 89: Using 2 MPI processes
@@ -329193,20 +329099,20 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 0.6%.
-89:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.3%.
+89:  Average load imbalance: 0.2%.
+89:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+89:  Part of the total run time spent waiting due to load imbalance: 0.1%.
 89: 
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      186.1
+89:        Time:        0.002        0.001      185.5
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1197.162        0.020
+89: Performance:     1187.241        0.020
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
-89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (830 ms)
+89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (838 ms)
 89: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
@@ -329268,18 +329174,18 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 0.8%.
-89:  The balanceable part of the MD step is 59%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.5%.
+89:  Average load imbalance: 0.7%.
+89:  The balanceable part of the MD step is 60%, load imbalance is computed from this.
+89:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 89: 
 89: 
-89: NOTE: 7 % of the run time was spent communicating energies,
+89: NOTE: 8 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.003        0.002      188.4
+89:        Time:        0.003        0.002      188.5
 89:                  (ns/day)    (hour/ns)
-89: Performance:      935.905        0.026
+89: Performance:      881.596        0.027
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -329305,6 +329211,14 @@
 89:   determining the Verlet buffer size
 89: 
 89: 
+89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
+89:   You are using a plain Coulomb cut-off, which might produce artifacts.
+89:   You might want to consider using PME electrostatics.
+89: 
+89: 
+89: 
+89: There were 4 NOTEs
+89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
 89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
@@ -329314,14 +329228,6 @@
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
 89: This run will generate roughly 0 Mb of data
-89: 
-89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
-89:   You are using a plain Coulomb cut-off, which might produce artifacts.
-89:   You might want to consider using PME electrostatics.
-89: 
-89: 
-89: 
-89: There were 4 NOTEs
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Can not increase nstlist because an NVE ensemble is used
 89: Using 2 MPI processes
@@ -329340,23 +329246,23 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 0.6%.
-89:  The balanceable part of the MD step is 58%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.3%.
+89:  Average load imbalance: 0.8%.
+89:  The balanceable part of the MD step is 56%, load imbalance is computed from this.
+89:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 89: 
 89: 
-89: NOTE: 8 % of the run time was spent communicating energies,
+89: NOTE: 9 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.003        0.001      187.8
+89:        Time:        0.003        0.001      188.1
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1038.711        0.023
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_POpened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         eriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
+89: Performance:     1018.954        0.024
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -329381,14 +329287,6 @@
 89:   determining the Verlet buffer size
 89: 
 89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-89: 
-89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
-89: 
-89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
-89: 
-89: Note that mdrun will redetermine rlist based on the actual pair-list setup
-89: 
 89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -329397,6 +329295,14 @@
 89: 
 89: There were 4 NOTEs
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+89: 
+89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
+89: 
+89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
+89: 
+89: Note that mdrun will redetermine rlist based on the actual pair-list setup
+89: 
 89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Can not increase nstlist because an NVE ensemble is used
@@ -329416,23 +329322,23 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 0.6%.
+89:  Average load imbalance: 0.9%.
 89:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.3%.
+89:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 89: 
 89: 
 89: NOTE: 9 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      187.0
+89:        Time:        0.002        0.001      186.9
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1108.918        0.022
+89: Performance:     1111.619        0.022
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+89: 
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -329466,8 +329372,6 @@
 89: 
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
-89: This run will generate roughly 0 Mb of data
-89: 
 89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -329475,6 +329379,8 @@
 89: 
 89: 
 89: There were 4 NOTEs
+89: 
+89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Can not increase nstlist because an NVE ensemble is used
 89: Using 2 MPI processes
@@ -329493,22 +329399,22 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 0.6%.
-89:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.3%.
+89:  Average load imbalance: 1.0%.
+89:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
+89:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 89: 
 89: 
 89: NOTE: 8 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.003        0.001      185.8
+89:        Time:        0.003        0.001      186.4
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1033.743        0.023
+89: Performance:     1088.829        0.022
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -329535,14 +329441,6 @@
 89:   determining the Verlet buffer size
 89: 
 89: 
-89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
-89:   You are using a plain Coulomb cut-off, which might produce artifacts.
-89:   You might want to consider using PME electrostatics.
-89: 
-89: 
-89: 
-89: There were 4 NOTEs
-89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
 89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
@@ -329552,6 +329450,14 @@
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
 89: This run will generate roughly 0 Mb of data
+89: 
+89: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
+89:   You are using a plain Coulomb cut-off, which might produce artifacts.
+89:   You might want to consider using PME electrostatics.
+89: 
+89: 
+89: 
+89: There were 4 NOTEs
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Can not increase nstlist because an NVE ensemble is used
 89: Using 2 MPI processes
@@ -329570,18 +329476,18 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 0.7%.
+89:  Average load imbalance: 0.8%.
 89:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
 89:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 89: 
 89: 
-89: NOTE: 8 % of the run time was spent communicating energies,
+89: NOTE: 10 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.003        0.001      186.4
+89:        Time:        0.003        0.001      186.6
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1038.623        0.023
+89: Performance:     1059.067        0.023
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
@@ -329605,16 +329511,6 @@
 89: Excluding 2 bonded neighbours molecule type 'SOL'
 89: 
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
-89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
-89: 
-89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
-89: 
-89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
-89: 
-89: Note that mdrun will redetermine rlist based on the actual pair-list setup
-89: 
-89: This run will generate roughly 0 Mb of data
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
@@ -329629,6 +329525,16 @@
 89: 
 89: 
 89: There were 4 NOTEs
+89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K
+89: 
+89: Calculated rlist for 1x1 atom pair-list as 0.779 nm, buffer size 0.079 nm
+89: 
+89: Set rlist, assuming 4x4 atom pair-list, to 0.773 nm, buffer size 0.073 nm
+89: 
+89: Note that mdrun will redetermine rlist based on the actual pair-list setup
+89: 
+89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Can not increase nstlist because an NVE ensemble is used
 89: Using 2 MPI processes
@@ -329647,23 +329553,23 @@
 89: 
 89: Dynamic load balancing report:
 89:  DLB was off during the run due to low measured imbalance.
-89:  Average load imbalance: 1.1%.
-89:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
-89:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+89:  Average load imbalance: 0.9%.
+89:  The balanceable part of the MD step is 54%, load imbalance is computed from this.
+89:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 89: 
 89: 
 89: NOTE: 8 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.003        0.001      186.6
+89:        Time:        0.003        0.001      186.3
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1087.675        0.022
+89: Performance:     1059.340        0.023
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
-89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (827 ms)
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_POpened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
+89: eriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
+89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (844 ms)
 89: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
@@ -329685,14 +329591,6 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
-89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
-89:   You are using a plain Coulomb cut-off, which might produce artifacts.
-89:   You might want to consider using PME electrostatics.
-89: 
-89: 
-89: 
-89: There were 3 NOTEs
-89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -329702,6 +329600,14 @@
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
 89: This run will generate roughly 0 Mb of data
+89: 
+89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
+89:   You are using a plain Coulomb cut-off, which might produce artifacts.
+89:   You might want to consider using PME electrostatics.
+89: 
+89: 
+89: 
+89: There were 3 NOTEs
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 89: 
@@ -329718,13 +329624,13 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 7 % of the run time was spent communicating energies,
+89: NOTE: 8 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.003        0.002      185.7
+89:        Time:        0.003        0.001      187.2
 89:                  (ns/day)    (hour/ns)
-89: Performance:      881.596        0.027
+89: Performance:      981.690        0.024
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -329745,6 +329651,8 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -329753,8 +329661,6 @@
 89: 
 89: There were 3 NOTEs
 89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 89: 
 89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
@@ -329778,18 +329684,18 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 8 % of the run time was spent communicating energies,
+89: NOTE: 9 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.003        0.001      186.1
+89:        Time:        0.003        0.001      185.4
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1035.655        0.023
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
+89: Performance:     1067.694        0.022
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      6 time    0.006         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     11 time    0.011         
Reading energy frame     15 time    0.015         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Last energy frame read 16 time    0.016         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Last energy frame read 16 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -329811,14 +329717,6 @@
 89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 89: 
-89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
-89: 
-89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
-89: 
-89: Note that mdrun will redetermine rlist based on the actual pair-list setup
-89: 
-89: This run will generate roughly 0 Mb of data
-89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -329834,6 +329732,14 @@
 89: 
 89: 
 89: There were 4 NOTEs
+89: 
+89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
+89: 
+89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
+89: 
+89: Note that mdrun will redetermine rlist based on the actual pair-list setup
+89: 
+89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 89: 
@@ -329854,12 +329760,14 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      180.7
+89:        Time:        0.002        0.001      185.4
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1129.866        0.021
+89: Performance:     1189.993        0.020
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+89: 
Reading energy frame      0 time    0.000         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -329870,10 +329778,8 @@
 89:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 89:   setting nstcomm equal to nstcalcenergy for less overhead
 89: 
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         Generating 1-4 interactions: fudge = 0.5
 89: Generated 330891 of the 330891 non-bonded parameter combinations
+89: Generating 1-4 interactions: fudge = 0.5
 89: 
 89: Generated 330891 of the 330891 1-4 parameter combinations
 89: 
@@ -329884,14 +329790,6 @@
 89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 89: 
-89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
-89: 
-89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
-89: 
-89: Note that mdrun will redetermine rlist based on the actual pair-list setup
-89: 
-89: This run will generate roughly 0 Mb of data
-89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -329907,6 +329805,14 @@
 89: 
 89: 
 89: There were 4 NOTEs
+89: 
+89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
+89: 
+89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
+89: 
+89: Note that mdrun will redetermine rlist based on the actual pair-list setup
+89: 
+89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 89: 
@@ -329927,9 +329833,9 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      185.1
+89:        Time:        0.002        0.001      183.9
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1138.426        0.021
+89: Performance:     1116.050        0.022
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
@@ -329945,8 +329851,8 @@
 89:   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, consider
 89:   setting nstcomm equal to nstcalcenergy for less overhead
 89: 
-89: Generating 1-4 interactions: fudge = 0.5
 89: Generated 330891 of the 330891 non-bonded parameter combinations
+89: Generating 1-4 interactions: fudge = 0.5
 89: 
 89: Generated 330891 of the 330891 1-4 parameter combinations
 89: 
@@ -329996,17 +329902,17 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 6 % of the run time was spent communicating energies,
+89: NOTE: 7 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      182.9
+89:        Time:        0.002        0.001      185.2
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1126.354        0.021
+89: Performance:     1117.061        0.021
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -330073,14 +329979,14 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.002        0.001      184.4
+89:        Time:        0.002        0.001      183.0
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1094.827        0.022
+89: Performance:     1080.806        0.022
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
-89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (831 ms)
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
+89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (842 ms)
 89: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
@@ -330108,6 +330014,8 @@
 89: 
 89: 
 89: 
+89: There were 3 NOTEs
+89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -330117,8 +330025,6 @@
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
 89: This run will generate roughly 0 Mb of data
-89: 
-89: There were 3 NOTEs
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 89: 
@@ -330135,13 +330041,13 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 7 % of the run time was spent communicating energies,
+89: NOTE: 8 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.003        0.002      185.8
+89:        Time:        0.003        0.002      186.8
 89:                  (ns/day)    (hour/ns)
-89: Performance:      912.816        0.026
+89: Performance:      932.858        0.026
 89: 
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -330199,14 +330105,14 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.003        0.002      182.1
+89:        Time:        0.003        0.002      186.0
 89:                  (ns/day)    (hour/ns)
-89: Performance:      928.220        0.026
+89: Performance:      976.090        0.025
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
-89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
-89: 
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      2 time    0.002         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.003         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      9 time    0.009         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame      7 time    0.007         
Reading energy frame     13 time    0.013         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame      9 time    0.009         
Reading energy frame     14 time    0.014         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     15 time    0.015         
Reading energy frame     10 time    0.010         
Reading energy frame     15 time    0.015         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     12 time    0.012         
Last energy frame read 16 time    0.016         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
+89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      2 time    0.002         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      6 time    0.006         
Reading energy frame      6 time    0.006         
Reading energy frame      5 time    0.005         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame      9 time    0.009         
Reading energy frame      8 time    0.008         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 16 time    0.016         
Last energy frame read 16 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -330226,6 +330132,8 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
+89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+89: 
 89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 89:   You are using a plain Coulomb cut-off, which might produce artifacts.
 89:   You might want to consider using PME electrostatics.
@@ -330234,8 +330142,6 @@
 89: 
 89: There were 3 NOTEs
 89: 
-89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
 89: 
 89: Set rlist, assuming 4x4 atom pair-list, to 0.762 nm, buffer size 0.062 nm
@@ -330263,14 +330169,14 @@
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.003        0.001      184.6
+89:        Time:        0.002        0.001      185.1
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1068.527        0.022
+89: Performance:     1170.882        0.020
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
-89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
+89: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame      4 time    0.016         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
Reading energy frame     16 time    0.016         
Last energy frame read 4 time    0.016         
 89: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 89:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 89:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -330291,14 +330197,6 @@
 89: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/tip3p5.gro'
 89: Number of degrees of freedom in T-Coupling group System is 27.00
 89: 
-89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
-89:   You are using a plain Coulomb cut-off, which might produce artifacts.
-89:   You might want to consider using PME electrostatics.
-89: 
-89: 
-89: 
-89: There were 3 NOTEs
-89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -330308,6 +330206,14 @@
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
 89: This run will generate roughly 0 Mb of data
+89: 
+89: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
+89:   You are using a plain Coulomb cut-off, which might produce artifacts.
+89:   You might want to consider using PME electrostatics.
+89: 
+89: 
+89: 
+89: There were 3 NOTEs
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
 89: 
@@ -330324,13 +330230,13 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 8 % of the run time was spent communicating energies,
+89: NOTE: 7 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.003        0.001      185.3
+89:        Time:        0.003        0.001      184.9
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1034.872        0.023
+89: Performance:     1039.499        0.023
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
@@ -330389,13 +330295,13 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 7 % of the run time was spent communicating energies,
+89: NOTE: 8 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.003        0.001      185.3
+89:        Time:        0.002        0.001      184.6
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1056.253        0.023
+89: Performance:     1085.089        0.022
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
@@ -330427,6 +330333,8 @@
 89: 
 89: 
 89: 
+89: There were 3 NOTEs
+89: 
 89: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 89: 
 89: Calculated rlist for 1x1 atom pair-list as 0.768 nm, buffer size 0.068 nm
@@ -330435,8 +330343,6 @@
 89: 
 89: Note that mdrun will redetermine rlist based on the actual pair-list setup
 89: 
-89: There were 3 NOTEs
-89: 
 89: This run will generate roughly 0 Mb of data
 89: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 89: Changing nstlist from 8 to 20, rlist from 0.762 to 0.876
@@ -330454,24 +330360,24 @@
 89: 
 89: Writing final coordinates.
 89: 
-89: NOTE: 7 % of the run time was spent communicating energies,
+89: NOTE: 8 % of the run time was spent communicating energies,
 89:       you might want to increase some nst* mdp options
 89: 
 89:                Core t (s)   Wall t (s)        (%)
-89:        Time:        0.003        0.001      185.6
+89:        Time:        0.003        0.001      183.2
 89:                  (ns/day)    (hour/ns)
-89: Performance:     1029.339        0.023
+89: Performance:     1066.862        0.022
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 89: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
-89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (835 ms)
-89: [----------] 13 tests from PropagatorsWithConstraints/PeriodicActionsTest (10850 ms total)
+89: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (847 ms)
+89: [----------] 13 tests from PropagatorsWithConstraints/PeriodicActionsTest (11033 ms total)
 89: 
 89: [----------] Global test environment tear-down
-89: [==========] 13 tests from 1 test suite ran. (10862 ms total)
+89: [==========] 13 tests from 1 test suite ran. (11046 ms total)
 89: [  PASSED  ] 13 tests.
-89/96 Test #89: MdrunCoordinationConstraintsTests2Ranks ......   Passed   11.07 sec
+89/96 Test #89: MdrunCoordinationConstraintsTests2Ranks ......   Passed   11.26 sec
 test 90
       Start 90: MdrunFEPTests
 
@@ -330538,9 +330444,9 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.008        0.004      197.1
+90:        Time:        0.009        0.005      198.3
 90:                  (ns/day)    (hour/ns)
-90: Performance:      351.652        0.068
+90: Performance:      311.094        0.077
 90: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsembleTest_ContinuationPreservesExpandedEnsembleState.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 90: Overriding nsteps with value passed on the command line: 8 steps, 0.008 ps
 90: Changing nstlist from 8 to 20, rlist from 0.757 to 0.863
@@ -330560,10 +330466,10 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.004        0.002      193.0
+90:        Time:        0.005        0.003      194.3
 90:                  (ns/day)    (hour/ns)
-90: Performance:      358.997        0.067
-90: [       OK ] ExpandedEnsembleTest.ContinuationPreservesExpandedEnsembleState (30 ms)
+90: Performance:      282.551        0.085
+90: [       OK ] ExpandedEnsembleTest.ContinuationPreservesExpandedEnsembleState (33 ms)
 90: [ RUN      ] ExpandedEnsembleTest.WeightEquilibrationReported
 90: 
 90: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/ExpandedEnsembleTest_WeightEquilibrationReported_input.mdp]:
@@ -330621,11 +330527,11 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.002        0.001      195.3
+90:        Time:        0.003        0.001      195.8
 90:                  (ns/day)    (hour/ns)
-90: Performance:      140.379        0.171
+90: Performance:      125.611        0.191
 90: [       OK ] ExpandedEnsembleTest.WeightEquilibrationReported (15 ms)
-90: [----------] 2 tests from ExpandedEnsembleTest (45 ms total)
+90: [----------] 2 tests from ExpandedEnsembleTest (49 ms total)
 90: 
 90: [----------] 12 tests from EquivalentToReference/FreeEnergyReferenceTest
 90: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwsequential_coul_s
@@ -330672,7 +330578,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'AA'
 90: 20 steps,      0.0 ps.
-90: Setting the LD random seed to 1056876031
+90: Setting the LD random seed to 2009001885
 90: 
 90: Generated 153 of the 153 non-bonded parameter combinations
 90: 
@@ -330713,12 +330619,12 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.090        0.045      199.8
+90:        Time:        0.092        0.046      199.8
 90:                  (ns/day)    (hour/ns)
-90: Performance:       40.178        0.597
+90: Performance:       39.323        0.610
 90: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_coul_s_energy.edr as single precision energy file
 90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         trr version: GMX_trn_file (single precision)
-90: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwsequential_coul_s (9743 ms)
+90: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwsequential_coul_s (9779 ms)
 90: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwsequential_vdw_s
 90: 
 90: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/coulandvdwsequential_vdw/grompp.mdp, line 148]:
@@ -330763,7 +330669,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'AA'
 90: 20 steps,      0.0 ps.
-90: Setting the LD random seed to 1056954807
+90: Setting the LD random seed to 2044618687
 90: 
 90: Generated 153 of the 153 non-bonded parameter combinations
 90: 
@@ -330804,11 +330710,11 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.073        0.036      199.7
+90:        Time:        0.091        0.045      199.8
 90:                  (ns/day)    (hour/ns)
-90: Performance:       49.780        0.482
+90: Performance:       40.014        0.600
 90: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_vdw_s_energy.edr as single precision energy file
-90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwsequential_vdw_s (111 ms)
+90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwsequential_vdw_s (120 ms)
 90: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_s
 90: 
 90: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/coulandvdwtogether/grompp.mdp, line 147]:
@@ -330861,7 +330767,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'AA'
 90: 20 steps,      0.0 ps.
-90: Setting the LD random seed to -4212305
+90: Setting the LD random seed to -1611014689
 90: 
 90: Generated 153 of the 153 non-bonded parameter combinations
 90: 
@@ -330902,11 +330808,11 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.068        0.034      199.7
+90:        Time:        0.066        0.033      199.7
 90:                  (ns/day)    (hour/ns)
-90: Performance:       53.317        0.450
+90: Performance:       54.737        0.438
 90: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwtogether_s_energy.edr as single precision energy file
-90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_s (108 ms)
+90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_s (107 ms)
 90: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_net_charge_s
 90: 
 90: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/coulandvdwtogether-net-charge/grompp.mdp, line 147]:
@@ -330945,7 +330851,7 @@
 90:   neutralize your system with counter ions, possibly in combination with a
 90:   physiological salt concentration.
 90: 
-90: Setting the LD random seed to -4204707
+90: Setting the LD random seed to -446867410
 90: 
 90: Generated 171 of the 171 non-bonded parameter combinations
 90: 
@@ -331033,9 +330939,9 @@
 90:                Core t (s)   Wall t (s)        (%)
 90:        Time:        0.080        0.040      199.8
 90:                  (ns/day)    (hour/ns)
-90: Performance:       45.124        0.532
+90: Performance:       45.404        0.529
 90: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwtogether_net_charge_s_energy.edr as single precision energy file
-90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_net_charge_s (12287 ms)
+90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_net_charge_s (12202 ms)
 90: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_decouple_counter_charge_s
 90: 
 90: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/coulandvdwtogether-decouple-counter-charge/grompp.mdp, line 147]:
@@ -331074,7 +330980,7 @@
 90:   neutralize your system with counter ions, possibly in combination with a
 90:   physiological salt concentration.
 90: 
-90: Setting the LD random seed to -135311905
+90: Setting the LD random seed to -544473105
 90: 
 90: Generated 190 of the 190 non-bonded parameter combinations
 90: 
@@ -331164,11 +331070,11 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.078        0.039      199.8
+90:        Time:        0.036        0.018      199.4
 90:                  (ns/day)    (hour/ns)
-90: Performance:       46.521        0.516
+90: Performance:      101.261        0.237
 90: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwtogether_decouple_counter_charge_s_energy.edr as single precision energy file
-90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_decouple_counter_charge_s (53 ms)
+90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/coulandvdwtogether_decouple_counter_charge_s (31 ms)
 90: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/expanded_s
 90: 
 90: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/expanded/grompp.mdp, line 171]:
@@ -331218,7 +331124,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'AA'
 90: 100 steps,      0.1 ps.
-90: Setting the LD random seed to -41089
+90: Setting the LD random seed to -1499791624
 90: 
 90: Generated 153 of the 153 non-bonded parameter combinations
 90: 
@@ -331259,11 +331165,11 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.263        0.132      199.9
+90:        Time:        0.253        0.127      199.9
 90:                  (ns/day)    (hour/ns)
-90: Performance:       66.355        0.362
+90: Performance:       68.977        0.348
 90: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_expanded_s_energy.edr as single precision energy file
-90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Reading energy frame     30 time    0.030         
Reading energy frame     40 time    0.040         
Reading energy frame     50 time    0.050         
Reading energy frame     60 time    0.060         
Reading energy frame     70 time    0.070         
Reading energy frame     80 time    0.080         
Reading energy frame     90 time    0.090         
Reading energy frame    100 time    0.100         
Last energy frame read 100 time    0.100         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/expanded_s (208 ms)
+90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Reading energy frame     30 time    0.030         
Reading energy frame     40 time    0.040         
Reading energy frame     50 time    0.050         
Reading energy frame     60 time    0.060         
Reading energy frame     70 time    0.070         
Reading energy frame     80 time    0.080         
Reading energy frame     90 time    0.090         
Reading energy frame    100 time    0.100         
Last energy frame read 100 time    0.100         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/expanded_s (206 ms)
 90: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/relative_s
 90: 
 90: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/relative/grompp.mdp]:
@@ -331363,7 +331269,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'AA'
 90: 20 steps,      0.0 ps.
-90: Setting the LD random seed to -1485836437
+90: Setting the LD random seed to 1272426623
 90: 
 90: Generated 136 of the 136 non-bonded parameter combinations
 90: 
@@ -331402,11 +331308,11 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.126        0.063      199.8
+90:        Time:        0.062        0.031      199.7
 90:                  (ns/day)    (hour/ns)
-90: Performance:       28.706        0.836
+90: Performance:       58.032        0.414
 90: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_s_energy.edr as single precision energy file
-90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/relative_s (140 ms)
+90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/relative_s (115 ms)
 90: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/relative_position_restraints_s
 90: 
 90: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/relative-position-restraints/grompp.mdp]:
@@ -331512,7 +331418,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'AA'
 90: 20 steps,      0.0 ps.
-90: Setting the LD random seed to -541134963
+90: Setting the LD random seed to -4210817
 90: 
 90: Generated 136 of the 136 non-bonded parameter combinations
 90: 
@@ -331551,11 +331457,11 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.133        0.067      199.8
+90:        Time:        0.061        0.030      199.7
 90:                  (ns/day)    (hour/ns)
-90: Performance:       27.267        0.880
+90: Performance:       59.658        0.402
 90: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_position_restraints_s_energy.edr as single precision energy file
-90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/relative_position_restraints_s (158 ms)
+90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/relative_position_restraints_s (117 ms)
 90: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/restraints_s
 90: 
 90: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/restraints/grompp.mdp]:
@@ -331595,7 +331501,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'AA'
 90: 20 steps,      0.0 ps.
-90: Setting the LD random seed to -881410243
+90: Setting the LD random seed to 1542963197
 90: 
 90: Generated 136 of the 136 non-bonded parameter combinations
 90: 
@@ -331634,11 +331540,11 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.044        0.022      199.1
+90:        Time:        0.018        0.009      198.9
 90:                  (ns/day)    (hour/ns)
-90: Performance:       82.683        0.290
+90: Performance:      205.969        0.117
 90: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_restraints_s_energy.edr as single precision energy file
-90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/restraints_s (129 ms)
+90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/restraints_s (77 ms)
 90: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/simtemp_s
 90: 
 90: WARNING 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/simtemp/grompp.mdp]:
@@ -331676,11 +331582,11 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.037        0.018      199.4
+90:        Time:        0.017        0.008      198.7
 90:                  (ns/day)    (hour/ns)
-90: Performance:       99.018        0.242
+90: Performance:      216.117        0.111
 90: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_simtemp_s_energy.edr as single precision energy file
-90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         Setting the LD random seed to -142825473
+90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         Setting the LD random seed to -108789826
 90: 
 90: Generated 136 of the 136 non-bonded parameter combinations
 90: 
@@ -331715,7 +331621,7 @@
 90: Estimate for the relative computational load of the PME mesh part: 0.90
 90: 
 90: This run will generate roughly 0 Mb of data
-90: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/simtemp_s (117 ms)
+90: [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/simtemp_s (78 ms)
 90: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/transformAtoB_s
 90: 
 90: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/transformAtoB/grompp.mdp]:
@@ -331763,7 +331669,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'AA'
 90: 20 steps,      0.0 ps.
-90: Setting the LD random seed to -70337069
+90: Setting the LD random seed to -2098317
 90: 
 90: Generated 136 of the 136 non-bonded parameter combinations
 90: 
@@ -331802,11 +331708,11 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.042        0.021      199.6
+90:        Time:        0.042        0.021      199.5
 90:                  (ns/day)    (hour/ns)
-90: Performance:       85.654        0.280
+90: Performance:       87.201        0.275
 90: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_transformAtoB_s_energy.edr as single precision energy file
-90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/transformAtoB_s (93 ms)
+90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/transformAtoB_s (91 ms)
 90: [ RUN      ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/vdwalone_s
 90: 
 90: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/freeenergy/vdwalone/grompp.mdp]:
@@ -331854,7 +331760,7 @@
 90:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 90: starting mdrun 'AA'
 90: 20 steps,      0.0 ps.
-90: Setting the LD random seed to -354550081
+90: Setting the LD random seed to 1986969558
 90: 
 90: Generated 136 of the 136 non-bonded parameter combinations
 90: 
@@ -331893,17 +331799,17 @@
 90: Writing final coordinates.
 90: 
 90:                Core t (s)   Wall t (s)        (%)
-90:        Time:        0.052        0.026      199.0
+90:        Time:        0.023        0.011      199.0
 90:                  (ns/day)    (hour/ns)
-90: Performance:       68.863        0.349
+90: Performance:      158.886        0.151
 90: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/EquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_vdwalone_s_energy.edr as single precision energy file
-90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/vdwalone_s (145 ms)
-90: [----------] 12 tests from EquivalentToReference/FreeEnergyReferenceTest (23299 ms total)
+90: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] EquivalentToReference/FreeEnergyReferenceTest.WithinTolerances/vdwalone_s (82 ms)
+90: [----------] 12 tests from EquivalentToReference/FreeEnergyReferenceTest (23012 ms total)
 90: 
 90: [----------] Global test environment tear-down
-90: [==========] 14 tests from 2 test suites ran. (23354 ms total)
+90: [==========] 14 tests from 2 test suites ran. (23070 ms total)
 90: [  PASSED  ] 14 tests.
-90/96 Test #90: MdrunFEPTests ................................   Passed   23.44 sec
+90/96 Test #90: MdrunFEPTests ................................   Passed   23.15 sec
 test 91
       Start 91: MdrunPullTests
 
@@ -331961,15 +331867,15 @@
 91: 
 91: Writing final coordinates.
 91: 
-91: NOTE: 19 % of the run time was spent in pair search,
+91: NOTE: 17 % of the run time was spent in pair search,
 91:       you might want to increase nstlist (this has no effect on accuracy)
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.037        0.018      199.5
+91:        Time:        0.028        0.014      199.3
 91:                  (ns/day)    (hour/ns)
-91: Performance:       98.917        0.243
+91: Performance:      128.600        0.187
 91: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PullTest_PullIntegrationTest_WithinTolerances_0.edr as single precision energy file
-91: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/0 (180 ms)
+91: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/0 (172 ms)
 91: [ RUN      ] PullTest/PullIntegrationTest.WithinTolerances/1
 91: Generating 1-4 interactions: fudge = 0.5
 91: Pull group 1 'r_1' has 3 atoms
@@ -332018,15 +331924,15 @@
 91: 
 91: Writing final coordinates.
 91: 
-91: NOTE: 18 % of the run time was spent in pair search,
+91: NOTE: 20 % of the run time was spent in pair search,
 91:       you might want to increase nstlist (this has no effect on accuracy)
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.037        0.018      199.5
+91:        Time:        0.032        0.016      199.4
 91:                  (ns/day)    (hour/ns)
-91: Performance:       98.665        0.243
+91: Performance:      114.034        0.210
 91: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PullTest_PullIntegrationTest_WithinTolerances_1.edr as single precision energy file
-91: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/1 (161 ms)
+91: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/1 (159 ms)
 91: [ RUN      ] PullTest/PullIntegrationTest.WithinTolerances/2
 91: Generating 1-4 interactions: fudge = 0.5
 91: Pull group 1 'r_1' has 3 atoms
@@ -332078,13 +331984,13 @@
 91: 
 91: Writing final coordinates.
 91: 
-91: NOTE: 18 % of the run time was spent in pair search,
+91: NOTE: 17 % of the run time was spent in pair search,
 91:       you might want to increase nstlist (this has no effect on accuracy)
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.036        0.018      199.5
+91:        Time:        0.038        0.019      199.5
 91:                  (ns/day)    (hour/ns)
-91: Performance:      101.346        0.237
+91: Performance:       94.558        0.254
 91: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PullTest_PullIntegrationTest_WithinTolerances_2.edr as single precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/2 (165 ms)
 91: [ RUN      ] PullTest/PullIntegrationTest.WithinTolerances/3
@@ -332137,21 +332043,21 @@
 91: 
 91: Writing final coordinates.
 91: 
-91: NOTE: 18 % of the run time was spent in pair search,
+91: NOTE: 16 % of the run time was spent in pair search,
 91:       you might want to increase nstlist (this has no effect on accuracy)
 91: 
 91:                Core t (s)   Wall t (s)        (%)
-91:        Time:        0.036        0.018      199.4
+91:        Time:        0.042        0.021      199.1
 91:                  (ns/day)    (hour/ns)
-91: Performance:      100.234        0.239
+91: Performance:       85.651        0.280
 91: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/PullTest_PullIntegrationTest_WithinTolerances_3.edr as single precision energy file
 91: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.005         
Reading energy frame      2 time    0.010         
Reading energy frame      3 time    0.015         
Reading energy frame      4 time    0.020         
Last energy frame read 4 time    0.020         [       OK ] PullTest/PullIntegrationTest.WithinTolerances/3 (164 ms)
-91: [----------] 4 tests from PullTest/PullIntegrationTest (671 ms total)
+91: [----------] 4 tests from PullTest/PullIntegrationTest (662 ms total)
 91: 
 91: [----------] Global test environment tear-down
-91: [==========] 4 tests from 1 test suite ran. (676 ms total)
+91: [==========] 4 tests from 1 test suite ran. (667 ms total)
 91: [  PASSED  ] 4 tests.
-91/96 Test #91: MdrunPullTests ...............................   Passed    0.77 sec
+91/96 Test #91: MdrunPullTests ...............................   Passed    0.74 sec
 test 92
       Start 92: MdrunRotationTests
 
@@ -332194,7 +332100,7 @@
 92:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 92: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 92: 25 steps,      0.1 ps.
-92: Setting the LD random seed to -1380029735
+92: Setting the LD random seed to 1056927471
 92: 
 92: Generated 1 of the 1 non-bonded parameter combinations
 92: 
@@ -332213,13 +332119,13 @@
 92: Writing final coordinates.
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.004        0.002      196.2
+92:        Time:        0.004        0.002      195.8
 92:                  (ns/day)    (hour/ns)
-92: Performance:     2476.889        0.010
+92: Performance:     2156.577        0.011
 92: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_0.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_0.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/0 (7 ms)
+92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/0 (11 ms)
 92: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/1
 92: Enforced rotation: Group 0 (iso-pf) normalized rot. vector: 0.267261 0.534522 0.801784
 92: 
@@ -332252,7 +332158,7 @@
 92:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 92: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 92: 25 steps,      0.1 ps.
-92: Setting the LD random seed to -134750435
+92: Setting the LD random seed to 2005925863
 92: 
 92: Generated 1 of the 1 non-bonded parameter combinations
 92: 
@@ -332270,17 +332176,14 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 11 % of the run time was spent in pair search,
-92:       you might want to increase nstlist (this has no effect on accuracy)
-92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      193.4
+92:        Time:        0.002        0.001      192.8
 92:                  (ns/day)    (hour/ns)
-92: Performance:     4987.869        0.005
+92: Performance:     4362.076        0.006
 92: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_1.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_1.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/1 (5 ms)
+92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/1 (7 ms)
 92: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/2
 92: Enforced rotation: Group 0 (pm) normalized rot. vector: 0.267261 0.534522 0.801784
 92: 
@@ -332313,7 +332216,7 @@
 92:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 92: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 92: 25 steps,      0.1 ps.
-92: Setting the LD random seed to -687919170
+92: Setting the LD random seed to -1111647298
 92: 
 92: Generated 1 of the 1 non-bonded parameter combinations
 92: 
@@ -332332,13 +332235,13 @@
 92: Writing final coordinates.
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      194.3
+92:        Time:        0.002        0.001      192.8
 92:                  (ns/day)    (hour/ns)
-92: Performance:     4004.286        0.006
+92: Performance:     3896.644        0.006
 92: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_2.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_2.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/2 (5 ms)
+92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/2 (7 ms)
 92: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/3
 92: Enforced rotation: Group 0 (pm-pf) normalized rot. vector: 0.267261 0.534522 0.801784
 92: 
@@ -332371,7 +332274,7 @@
 92:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 92: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 92: 25 steps,      0.1 ps.
-92: Setting the LD random seed to 1028298718
+92: Setting the LD random seed to -1679094273
 92: 
 92: Generated 1 of the 1 non-bonded parameter combinations
 92: 
@@ -332389,17 +332292,14 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 10 % of the run time was spent in pair search,
-92:       you might want to increase nstlist (this has no effect on accuracy)
-92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      193.3
+92:        Time:        0.002        0.001      192.7
 92:                  (ns/day)    (hour/ns)
-92: Performance:     4945.976        0.005
+92: Performance:     4474.987        0.005
 92: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_3.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_3.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/3 (5 ms)
+92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/3 (7 ms)
 92: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/4
 92: Enforced rotation: Group 0 (rm) normalized rot. vector: 0.267261 0.534522 0.801784
 92: 
@@ -332432,7 +332332,7 @@
 92:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 92: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 92: 25 steps,      0.1 ps.
-92: Setting the LD random seed to -134236681
+92: Setting the LD random seed to -2117634
 92: 
 92: Generated 1 of the 1 non-bonded parameter combinations
 92: 
@@ -332450,14 +332350,17 @@
 92: 
 92: Writing final coordinates.
 92: 
+92: NOTE: 10 % of the run time was spent in pair search,
+92:       you might want to increase nstlist (this has no effect on accuracy)
+92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      193.2
+92:        Time:        0.002        0.001      193.6
 92:                  (ns/day)    (hour/ns)
-92: Performance:     4873.072        0.005
+92: Performance:     4465.443        0.005
 92: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_4.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_4.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/4 (5 ms)
+92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/4 (7 ms)
 92: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/5
 92: Enforced rotation: Group 0 (rm-pf) normalized rot. vector: 0.267261 0.534522 0.801784
 92: 
@@ -332490,7 +332393,7 @@
 92:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 92: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 92: 25 steps,      0.1 ps.
-92: Setting the LD random seed to 1744383855
+92: Setting the LD random seed to 2134359518
 92: 
 92: Generated 1 of the 1 non-bonded parameter combinations
 92: 
@@ -332508,17 +332411,14 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 11 % of the run time was spent in pair search,
-92:       you might want to increase nstlist (this has no effect on accuracy)
-92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      192.8
+92:        Time:        0.002        0.001      193.3
 92:                  (ns/day)    (hour/ns)
-92: Performance:     5083.401        0.005
+92: Performance:     4022.235        0.006
 92: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_5.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_5.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/5 (6 ms)
+92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/5 (7 ms)
 92: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/6
 92: Enforced rotation: Group 0 (rm2) normalized rot. vector: 0.267261 0.534522 0.801784
 92: 
@@ -332551,7 +332451,7 @@
 92:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 92: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 92: 25 steps,      0.1 ps.
-92: Setting the LD random seed to -140027913
+92: Setting the LD random seed to -1193115905
 92: 
 92: Generated 1 of the 1 non-bonded parameter combinations
 92: 
@@ -332569,17 +332469,17 @@
 92: 
 92: Writing final coordinates.
 92: 
-92: NOTE: 11 % of the run time was spent in pair search,
+92: NOTE: 16 % of the run time was spent in pair search,
 92:       you might want to increase nstlist (this has no effect on accuracy)
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      193.3
+92:        Time:        0.003        0.002      195.9
 92:                  (ns/day)    (hour/ns)
-92: Performance:     5034.509        0.005
+92: Performance:     2617.609        0.009
 92: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_6.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_6.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/6 (6 ms)
+92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/6 (7 ms)
 92: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/7
 92: Enforced rotation: Group 0 (rm2-pf) normalized rot. vector: 0.267261 0.534522 0.801784
 92: 
@@ -332612,7 +332512,7 @@
 92:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 92: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 92: 25 steps,      0.1 ps.
-92: Setting the LD random seed to -1648973889
+92: Setting the LD random seed to -843101345
 92: 
 92: Generated 1 of the 1 non-bonded parameter combinations
 92: 
@@ -332631,13 +332531,13 @@
 92: Writing final coordinates.
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.002        0.001      192.8
+92:        Time:        0.004        0.002      194.0
 92:                  (ns/day)    (hour/ns)
-92: Performance:     4895.861        0.005
+92: Performance:     2386.849        0.010
 92: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_7.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_7.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/7 (5 ms)
+92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/7 (9 ms)
 92: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/8
 92: Enforced rotation: Group 0 (flex) normalized rot. vector: 0.267261 0.534522 0.801784
 92: 
@@ -332670,7 +332570,7 @@
 92:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 92: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 92: 25 steps,      0.1 ps.
-92: Setting the LD random seed to -1209014421
+92: Setting the LD random seed to -204968449
 92: 
 92: Generated 1 of the 1 non-bonded parameter combinations
 92: 
@@ -332689,13 +332589,13 @@
 92: Writing final coordinates.
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.004        0.002      197.1
+92:        Time:        0.006        0.003      196.4
 92:                  (ns/day)    (hour/ns)
-92: Performance:     2009.616        0.012
+92: Performance:     1506.449        0.016
 92: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_8.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_8.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/8 (7 ms)
+92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/8 (12 ms)
 92: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/9
 92: Enforced rotation: Group 0 (flex-t) normalized rot. vector: 0.267261 0.534522 0.801784
 92: 
@@ -332728,7 +332628,7 @@
 92:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 92: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 92: 25 steps,      0.1 ps.
-92: Setting the LD random seed to -1143327372
+92: Setting the LD random seed to -889227846
 92: 
 92: Generated 1 of the 1 non-bonded parameter combinations
 92: 
@@ -332747,13 +332647,13 @@
 92: Writing final coordinates.
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.003        0.002      195.8
+92:        Time:        0.005        0.003      196.5
 92:                  (ns/day)    (hour/ns)
-92: Performance:     2674.070        0.009
+92: Performance:     1716.539        0.014
 92: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_9.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_9.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/9 (6 ms)
+92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/9 (10 ms)
 92: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/10
 92: Enforced rotation: Group 0 (flex2) normalized rot. vector: 0.267261 0.534522 0.801784
 92: 
@@ -332786,7 +332686,7 @@
 92:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 92: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 92: 25 steps,      0.1 ps.
-92: Setting the LD random seed to 2147154299
+92: Setting the LD random seed to -407552033
 92: 
 92: Generated 1 of the 1 non-bonded parameter combinations
 92: 
@@ -332805,13 +332705,13 @@
 92: Writing final coordinates.
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.003        0.002      195.7
+92:        Time:        0.004        0.002      196.3
 92:                  (ns/day)    (hour/ns)
-92: Performance:     2551.336        0.009
+92: Performance:     2042.728        0.012
 92: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_10.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_10.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/10 (7 ms)
+92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/10 (9 ms)
 92: [ RUN      ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/11
 92: Enforced rotation: Group 0 (flex2-t) normalized rot. vector: 0.267261 0.534522 0.801784
 92: 
@@ -332844,7 +332744,7 @@
 92:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
 92: starting mdrun 'Good gRace! Old Maple Actually Chews Slate'
 92: 25 steps,      0.1 ps.
-92: Setting the LD random seed to -1342230281
+92: Setting the LD random seed to 1826060159
 92: 
 92: Generated 1 of the 1 non-bonded parameter combinations
 92: 
@@ -332863,19 +332763,19 @@
 92: Writing final coordinates.
 92: 
 92:                Core t (s)   Wall t (s)        (%)
-92:        Time:        0.004        0.002      196.2
+92:        Time:        0.004        0.002      196.4
 92:                  (ns/day)    (hour/ns)
-92: Performance:     2503.211        0.010
+92: Performance:     2081.999        0.012
 92: Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_11.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         Opened /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/RotationWorks_RotationTest_CheckEnergiesForcesAndTraj_11.edr as single precision energy file
 92: 
Reading energy frame      0 time    0.002         
Reading energy frame      1 time    0.012         
Reading energy frame      2 time    0.022         
Reading energy frame      3 time    0.032         
Reading energy frame      4 time    0.042         
Reading energy frame      5 time    0.052         
Last energy frame read 5 time    0.052         
-92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/11 (7 ms)
-92: [----------] 12 tests from RotationWorks/RotationTest (76 ms total)
+92: [       OK ] RotationWorks/RotationTest.CheckEnergiesForcesAndTraj/11 (9 ms)
+92: [----------] 12 tests from RotationWorks/RotationTest (107 ms total)
 92: 
 92: [----------] Global test environment tear-down
-92: [==========] 12 tests from 1 test suite ran. (81 ms total)
+92: [==========] 12 tests from 1 test suite ran. (114 ms total)
 92: [  PASSED  ] 12 tests.
-92/96 Test #92: MdrunRotationTests ...........................   Passed    0.15 sec
+92/96 Test #92: MdrunRotationTests ...........................   Passed    0.20 sec
 test 93
       Start 93: MdrunSimulatorComparison
 
@@ -332936,8 +332836,6 @@
 94: 
 94: 
 94: There were 4 NOTEs
-94: 
-94: This run will generate roughly 0 Mb of data
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Can not increase nstlist because an NVE ensemble is used
 94: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -332953,41 +332851,29 @@
 94: starting mdrun 'Virtual sites test system in vacuo'
 94: 8 steps,      0.0 ps.
 94: 
+94: This run will generate roughly 0 Mb of data
+94: 
 94: Writing final coordinates.
 94: 
 94: 
 94: Dynamic load balancing report:
 94:  DLB was off during the run due to low measured imbalance.
-94:  Average load imbalance: 21.6%.
-94:  The balanceable part of the MD step is 37%, load imbalance is computed from this.
-94:  Part of the total run time spent waiting due to load imbalance: 8.1%.
+94:  Average load imbalance: 7.7%.
+94:  The balanceable part of the MD step is 38%, load imbalance is computed from this.
+94:  Part of the total run time spent waiting due to load imbalance: 2.9%.
 94: 
-94: NOTE: 8.1 % of the available CPU time was lost due to load imbalance
-94:       in the domain decomposition.
-94:       Dynamic load balancing was automatically disabled, but it might be beneficial to manually turn it on (option -dlb yes.)
-94:       You can also consider manually changing the decomposition (option -dd);
-94:       e.g. by using fewer domains along the box dimension in which there is
-94:       considerable inhomogeneity in the simulated system.
 94: 
 94: NOTE: 38 % of the run time was spent communicating energies,
 94:       you might want to increase some nst* mdp options
 94: 
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.007        0.004      191.2
+94:        Time:        0.004        0.002      194.8
 94:                  (ns/day)    (hour/ns)
-94: Performance:      213.141        0.113
-94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: Reading virtual site types...
+94: Performance:      419.727        0.057
+94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpReading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: trr version: GMX_trn_file (single precision)
 94: 
-94: trr version: GMX_trn_file (single precision)
-94: Reading virtual site types...
-94: 
-94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/0 (16 ms)
-94: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/1
 94: 
 94: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_1_input.mdp]:
 94:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -332998,13 +332884,23 @@
 94: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_1_input.mdp]:
 94:   Setting nstcalcenergy (100) equal to nstenergy (4)
 94: 
+94: ectations_VirtualSiteTest_WithinToleranceOfReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_0.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+94: trr version: GMX_trn_file (single precision)
+94: 
+94: Reading virtual site types...
+94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/0 (8 ms)
+94: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/1
 94: Generated 3 of the 6 non-bonded parameter combinations
+94: Reading virtual site types...
 94: 
 94: Excluding 3 bonded neighbours molecule type 'VSTEST'
 94: 
 94: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/vsite_test.gro', all velocities are zero
 94: 
 94: Cleaning up constraints and constant bonded interactions with virtual sites
+94: 
+94: This run will generate roughly 0 Mb of data
 94: Number of degrees of freedom in T-Coupling group System is 45.00
 94: 
 94: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_1_input.mdp]:
@@ -333019,8 +332915,6 @@
 94: 
 94: 
 94: There were 4 NOTEs
-94: 
-94: This run will generate roughly 0 Mb of data
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Can not increase nstlist because an NVE ensemble is used
 94: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -333041,34 +332935,24 @@
 94: 
 94: Dynamic load balancing report:
 94:  DLB was off during the run due to low measured imbalance.
-94:  Average load imbalance: 21.5%.
-94:  The balanceable part of the MD step is 36%, load imbalance is computed from this.
-94:  Part of the total run time spent waiting due to load imbalance: 7.8%.
+94:  Average load imbalance: 7.9%.
+94:  The balanceable part of the MD step is 37%, load imbalance is computed from this.
+94:  Part of the total run time spent waiting due to load imbalance: 2.9%.
 94: 
-94: NOTE: 7.8 % of the available CPU time was lost due to load imbalance
-94:       in the domain decomposition.
-94:       Dynamic load balancing was automatically disabled, but it might be beneficial to manually turn it on (option -dlb yes.)
-94:       You can also consider manually changing the decomposition (option -dd);
-94:       e.g. by using fewer domains along the box dimension in which there is
-94:       considerable inhomogeneity in the simulated system.
 94: 
-94: NOTE: 29 % of the run time was spent communicating energies,
+94: NOTE: 30 % of the run time was spent communicating energies,
 94:       you might want to increase some nst* mdp options
 94: 
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.003        0.002      189.5
+94:        Time:        0.002        0.001      188.2
 94:                  (ns/day)    (hour/ns)
-94: Performance:      460.013        0.052
+94: Performance:      888.690        0.027
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_1.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: Reading virtual site types...
 94: 
-94: Reading virtual site types...
 94: 
-94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/1 (12 ms)
-94: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/2
 94: 
 94: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_2_input.mdp]:
 94:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -333079,13 +332963,6 @@
 94: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_2_input.mdp]:
 94:   Setting nstcalcenergy (100) equal to nstenergy (4)
 94: 
-94: Generated 3 of the 6 non-bonded parameter combinations
-94: 
-94: Excluding 3 bonded neighbours molecule type 'VSTEST'
-94: 
-94: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/vsite_test.gro', all velocities are zero
-94: 
-94: Cleaning up constraints and constant bonded interactions with virtual sites
 94: Number of degrees of freedom in T-Coupling group System is 45.00
 94: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
 94: 
@@ -333101,8 +332978,6 @@
 94: 
 94: 
 94: There were 4 NOTEs
-94: 
-94: This run will generate roughly 0 Mb of data
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Can not increase nstlist because an NVE ensemble is used
 94: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -333115,6 +332990,19 @@
 94:       and the -pin option is set to auto: will not pin threads to cpus.
 94:       This can lead to significant performance degradation.
 94:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
+94: Reading virtual site types...
+94: Reading virtual site types...
+94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/1 (5 ms)
+94: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/2
+94: Generated 3 of the 6 non-bonded parameter combinations
+94: 
+94: Excluding 3 bonded neighbours molecule type 'VSTEST'
+94: 
+94: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/vsite_test.gro', all velocities are zero
+94: 
+94: Cleaning up constraints and constant bonded interactions with virtual sites
+94: 
+94: This run will generate roughly 0 Mb of data
 94: starting mdrun 'Virtual sites test system in vacuo'
 94: 8 steps,      0.0 ps.
 94: 
@@ -333123,33 +333011,31 @@
 94: 
 94: Dynamic load balancing report:
 94:  DLB was off during the run due to low measured imbalance.
-94:  Average load imbalance: 17.5%.
-94:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
-94:  Part of the total run time spent waiting due to load imbalance: 7.1%.
-94: 
-94: NOTE: 7.1 % of the available CPU time was lost due to load imbalance
-94:       in the domain decomposition.
-94:       Dynamic load balancing was automatically disabled, but it might be beneficial to manually turn it on (option -dlb yes.)
-94:       You can also consider manually changing the decomposition (option -dd);
-94:       e.g. by using fewer domains along the box dimension in which there is
-94:       considerable inhomogeneity in the simulated system.
+94:  Average load imbalance: 7.0%.
+94:  The balanceable part of the MD step is 36%, load imbalance is computed from this.
+94:  Part of the total run time spent waiting due to load imbalance: 2.5%.
 94: 
-94: NOTE: 29 % of the run time was spent communicating energies,
+94: 
+94: NOTE: 11 % of the run time was spent in domain decomposition,
+94:       3 % of the run time was spent in pair search,
+94:       you might want to increase nstlist (this has no effect on accuracy)
+94: 
+94: NOTE: 30 % of the run time was spent communicating energies,
 94:       you might want to increase some nst* mdp options
 94: 
+94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.003        0.002      189.4
+94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExp       Time:        0.002        0.001      190.2
 94:                  (ns/day)    (hour/ns)
-94: Performance:      495.141        0.048
-94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+94: Performance:      771.220        0.031
+94: ectations_VirtualSiteTest_WithinToleranceOfReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading virtual site types...
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_2.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: 
 94: Reading virtual site types...
 94: 
-94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/2 (10 ms)
+94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/2 (6 ms)
 94: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/3
 94: 
 94: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_3_input.mdp]:
@@ -333168,10 +333054,18 @@
 94: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/vsite_test.gro', all velocities are zero
 94: 
 94: Cleaning up constraints and constant bonded interactions with virtual sites
-94: Number of degrees of freedom in T-Coupling group System is 45.00
 94: 
 94: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 94: 
+94: Calculated rlist for 1x1 atom pair-list as 0.715 nm, buffer size 0.015 nm
+94: 
+94: Set rlist, assuming 4x4 atom pair-list, to 0.712 nm, buffer size 0.012 nm
+94: 
+94: Note that mdrun will redetermine rlist based on the actual pair-list setup
+94: 
+94: This run will generate roughly 0 Mb of data
+94: Number of degrees of freedom in T-Coupling group System is 45.00
+94: 
 94: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_3_input.mdp]:
 94:   There are 6 non-linear virtual site constructions. Their contribution to
 94:   the energy error is approximated. In most cases this does not affect the
@@ -333185,14 +333079,6 @@
 94: 
 94: 
 94: There were 4 NOTEs
-94: 
-94: Calculated rlist for 1x1 atom pair-list as 0.715 nm, buffer size 0.015 nm
-94: 
-94: Set rlist, assuming 4x4 atom pair-list, to 0.712 nm, buffer size 0.012 nm
-94: 
-94: Note that mdrun will redetermine rlist based on the actual pair-list setup
-94: 
-94: This run will generate roughly 0 Mb of data
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Changing nstlist from 8 to 50, rlist from 0.712 to 0.801
 94: 
@@ -333211,22 +333097,22 @@
 94: 
 94: Writing final coordinates.
 94: 
-94: NOTE: 31 % of the run time was spent communicating energies,
+94: NOTE: 41 % of the run time was spent communicating energies,
 94:       you might want to increase some nst* mdp options
 94: 
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.002        0.001      188.7
+94:        Time:        0.002        0.001      191.6
 94:                  (ns/day)    (hour/ns)
-94: Performance:      686.196        0.035
-94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+94: Performance:      701.924        0.034
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading virtual site types...
 94: 
+94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_3.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading virtual site types...
 94: 
-94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/3 (14 ms)
+94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/3 (11 ms)
 94: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/4
 94: 
 94: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_4_input.mdp]:
@@ -333255,21 +333141,21 @@
 94:   error significantly.
 94: 
 94: 
-94: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_4_input.mdp]:
-94:   You are using a plain Coulomb cut-off, which might produce artifacts.
-94:   You might want to consider using PME electrostatics.
-94: 
-94: 
-94: 
-94: There were 4 NOTEs
-94: 
 94: Calculated rlist for 1x1 atom pair-list as 0.715 nm, buffer size 0.015 nm
 94: 
 94: Set rlist, assuming 4x4 atom pair-list, to 0.712 nm, buffer size 0.012 nm
 94: 
 94: Note that mdrun will redetermine rlist based on the actual pair-list setup
 94: 
+94: 
+94: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_4_input.mdp]:
+94:   You are using a plain Coulomb cut-off, which might produce artifacts.
+94:   You might want to consider using PME electrostatics.
+94: 
+94: 
 94: This run will generate roughly 0 Mb of data
+94: 
+94: There were 4 NOTEs
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Changing nstlist from 8 to 50, rlist from 0.712 to 0.801
 94: 
@@ -333288,22 +333174,22 @@
 94: 
 94: Writing final coordinates.
 94: 
-94: NOTE: 29 % of the run time was spent communicating energies,
+94: NOTE: 30 % of the run time was spent communicating energies,
 94:       you might want to increase some nst* mdp options
 94: 
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.002        0.001      188.0
+94:        Time:        0.002        0.001      188.9
 94:                  (ns/day)    (hour/ns)
-94: Performance:      758.751        0.032
-94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+94: Performance:      881.961        0.027
+94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpReading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+94: ectations_VirtualSiteTest_WithinToleranceOfReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+94: Reading virtual site types...
 94: 
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_4.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: 
 94: Reading virtual site types...
-94: Reading virtual site types...
-94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/4 (12 ms)
+94: 
+94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/4 (10 ms)
 94: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/5
 94: 
 94: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_5_input.mdp]:
@@ -333322,9 +333208,16 @@
 94: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/vsite_test.gro', all velocities are zero
 94: 
 94: Cleaning up constraints and constant bonded interactions with virtual sites
+94: Number of degrees of freedom in T-Coupling group System is 45.00
 94: 
 94: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 94: 
+94: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_5_input.mdp]:
+94:   There are 6 non-linear virtual site constructions. Their contribution to
+94:   the energy error is approximated. In most cases this does not affect the
+94:   error significantly.
+94: 
+94: 
 94: Calculated rlist for 1x1 atom pair-list as 0.715 nm, buffer size 0.015 nm
 94: 
 94: Set rlist, assuming 4x4 atom pair-list, to 0.712 nm, buffer size 0.012 nm
@@ -333332,13 +333225,6 @@
 94: Note that mdrun will redetermine rlist based on the actual pair-list setup
 94: 
 94: This run will generate roughly 0 Mb of data
-94: Number of degrees of freedom in T-Coupling group System is 45.00
-94: 
-94: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_5_input.mdp]:
-94:   There are 6 non-linear virtual site constructions. Their contribution to
-94:   the energy error is approximated. In most cases this does not affect the
-94:   error significantly.
-94: 
 94: 
 94: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_5_input.mdp]:
 94:   You are using a plain Coulomb cut-off, which might produce artifacts.
@@ -333365,22 +333251,22 @@
 94: 
 94: Writing final coordinates.
 94: 
-94: NOTE: 31 % of the run time was spent communicating energies,
+94: NOTE: 28 % of the run time was spent communicating energies,
 94:       you might want to increase some nst* mdp options
 94: 
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.002        0.001      187.9
+94:        Time:        0.002        0.001      189.6
 94:                  (ns/day)    (hour/ns)
-94: Performance:      817.211        0.029
+94: Performance:      774.333        0.031
+94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpReading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+94: ectations_VirtualSiteTest_WithinToleranceOfReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_5.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: Reading virtual site types...
-94: Reading virtual site types...
 94: 
 94: 
-94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/5 (11 ms)
+94: Reading virtual site types...
+94: Reading virtual site types...
+94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/5 (10 ms)
 94: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/6
 94: 
 94: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_6_input.mdp]:
@@ -333404,10 +333290,18 @@
 94: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/vsite_test.gro', all velocities are zero
 94: 
 94: Cleaning up constraints and constant bonded interactions with virtual sites
-94: Number of degrees of freedom in T-Coupling group System is 45.00
 94: 
 94: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 94: 
+94: Calculated rlist for 1x1 atom pair-list as 0.715 nm, buffer size 0.015 nm
+94: 
+94: Set rlist, assuming 4x4 atom pair-list, to 0.712 nm, buffer size 0.012 nm
+94: 
+94: Note that mdrun will redetermine rlist based on the actual pair-list setup
+94: 
+94: This run will generate roughly 0 Mb of data
+94: Number of degrees of freedom in T-Coupling group System is 45.00
+94: 
 94: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_6_input.mdp]:
 94:   There are 6 non-linear virtual site constructions. Their contribution to
 94:   the energy error is approximated. In most cases this does not affect the
@@ -333421,14 +333315,6 @@
 94: 
 94: 
 94: There were 5 NOTEs
-94: 
-94: Calculated rlist for 1x1 atom pair-list as 0.715 nm, buffer size 0.015 nm
-94: 
-94: Set rlist, assuming 4x4 atom pair-list, to 0.712 nm, buffer size 0.012 nm
-94: 
-94: Note that mdrun will redetermine rlist based on the actual pair-list setup
-94: 
-94: This run will generate roughly 0 Mb of data
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Changing nstlist from 8 to 50, rlist from 0.712 to 0.801
 94: 
@@ -333451,9 +333337,9 @@
 94:       you might want to increase some nst* mdp options
 94: 
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.002        0.001      190.2
+94:        Time:        0.002        0.001      189.7
 94:                  (ns/day)    (hour/ns)
-94: Performance:      810.308        0.030
+94: Performance:      915.635        0.026
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_6.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -333462,7 +333348,7 @@
 94: Reading virtual site types...
 94: 
 94: 
-94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/6 (10 ms)
+94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/6 (9 ms)
 94: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/7
 94: 
 94: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_7_input.mdp]:
@@ -333496,14 +333382,6 @@
 94:   error significantly.
 94: 
 94: 
-94: NOTE 5 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_7_input.mdp]:
-94:   You are using a plain Coulomb cut-off, which might produce artifacts.
-94:   You might want to consider using PME electrostatics.
-94: 
-94: 
-94: 
-94: There were 5 NOTEs
-94: 
 94: Calculated rlist for 1x1 atom pair-list as 0.715 nm, buffer size 0.015 nm
 94: 
 94: Set rlist, assuming 4x4 atom pair-list, to 0.712 nm, buffer size 0.012 nm
@@ -333511,6 +333389,14 @@
 94: Note that mdrun will redetermine rlist based on the actual pair-list setup
 94: 
 94: This run will generate roughly 0 Mb of data
+94: 
+94: NOTE 5 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_7_input.mdp]:
+94:   You are using a plain Coulomb cut-off, which might produce artifacts.
+94:   You might want to consider using PME electrostatics.
+94: 
+94: 
+94: 
+94: There were 5 NOTEs
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Changing nstlist from 8 to 50, rlist from 0.712 to 0.801
 94: 
@@ -333533,19 +333419,12 @@
 94:       you might want to increase some nst* mdp options
 94: 
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.002        0.001      183.3
+94:        Time:        0.001        0.001      187.4
 94:                  (ns/day)    (hour/ns)
-94: Performance:      908.873        0.026
-94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+94: Performance:      990.131        0.024
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: Reading virtual site types...
-94: Reading virtual site types...
-94: 
 94: 
-94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/7 (9 ms)
-94: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/8
 94: 
 94: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_8_input.mdp]:
 94:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -333561,6 +333440,13 @@
 94:   leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to
 94:   1
 94: 
+94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_7.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+94: 
+94: Reading virtual site types...
+94: Reading virtual site types...
+94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/7 (8 ms)
+94: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/8
 94: Generated 3 of the 6 non-bonded parameter combinations
 94: 
 94: Excluding 3 bonded neighbours molecule type 'VSTEST'
@@ -333578,14 +333464,6 @@
 94:   error significantly.
 94: 
 94: 
-94: NOTE 5 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_8_input.mdp]:
-94:   You are using a plain Coulomb cut-off, which might produce artifacts.
-94:   You might want to consider using PME electrostatics.
-94: 
-94: 
-94: 
-94: There were 5 NOTEs
-94: 
 94: Calculated rlist for 1x1 atom pair-list as 0.715 nm, buffer size 0.015 nm
 94: 
 94: Set rlist, assuming 4x4 atom pair-list, to 0.712 nm, buffer size 0.012 nm
@@ -333593,6 +333471,14 @@
 94: Note that mdrun will redetermine rlist based on the actual pair-list setup
 94: 
 94: This run will generate roughly 0 Mb of data
+94: 
+94: NOTE 5 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_8_input.mdp]:
+94:   You are using a plain Coulomb cut-off, which might produce artifacts.
+94:   You might want to consider using PME electrostatics.
+94: 
+94: 
+94: 
+94: There were 5 NOTEs
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Changing nstlist from 8 to 50, rlist from 0.712 to 0.801
 94: 
@@ -333611,13 +333497,13 @@
 94: 
 94: Writing final coordinates.
 94: 
-94: NOTE: 31 % of the run time was spent communicating energies,
+94: NOTE: 33 % of the run time was spent communicating energies,
 94:       you might want to increase some nst* mdp options
 94: 
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.002        0.001      188.0
+94:        Time:        0.002        0.001      182.2
 94:                  (ns/day)    (hour/ns)
-94: Performance:      971.984        0.025
+94: Performance:      753.405        0.032
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_8.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -333626,7 +333512,7 @@
 94: 
 94: Reading virtual site types...
 94: Reading virtual site types...
-94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/8 (9 ms)
+94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/8 (10 ms)
 94: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/9
 94: 
 94: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_9_input.mdp]:
@@ -333645,6 +333531,8 @@
 94: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/vsite_test.gro', all velocities are zero
 94: 
 94: Cleaning up constraints and constant bonded interactions with virtual sites
+94: 
+94: This run will generate roughly 0 Mb of data
 94: Number of degrees of freedom in T-Coupling group System is 45.00
 94: The integrator does not provide a ensemble temperature, there is no system ensemble temperature
 94: 
@@ -333660,8 +333548,6 @@
 94: 
 94: 
 94: There were 4 NOTEs
-94: 
-94: This run will generate roughly 0 Mb of data
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Can not increase nstlist because an NVE ensemble is used
 94: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -333682,26 +333568,26 @@
 94: 
 94: Dynamic load balancing report:
 94:  DLB was off during the run due to low measured imbalance.
-94:  Average load imbalance: 9.7%.
-94:  The balanceable part of the MD step is 36%, load imbalance is computed from this.
-94:  Part of the total run time spent waiting due to load imbalance: 3.4%.
+94:  Average load imbalance: 5.9%.
+94:  The balanceable part of the MD step is 40%, load imbalance is computed from this.
+94:  Part of the total run time spent waiting due to load imbalance: 2.4%.
 94: 
 94: 
-94: NOTE: 28 % of the run time was spent communicating energies,
+94: NOTE: 30 % of the run time was spent communicating energies,
 94:       you might want to increase some nst* mdp options
 94: 
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.002        0.001      190.0
+94:        Time:        0.002        0.001      190.1
 94:                  (ns/day)    (hour/ns)
-94: Performance:      880.532        0.027
+94: Performance:      866.726        0.028
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_9.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: Reading virtual site types...
-94: Reading virtual site types...
 94: 
 94: 
+94: Reading virtual site types...
+94: Reading virtual site types...
 94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/9 (5 ms)
 94: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/10
 94: 
@@ -333714,10 +333600,6 @@
 94: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_10_input.mdp]:
 94:   Setting nstcalcenergy (100) equal to nstenergy (4)
 94: 
-94: Generated 3 of the 6 non-bonded parameter combinations
-94: 
-94: Excluding 3 bonded neighbours molecule type 'VSTEST'
-94: 
 94: Number of degrees of freedom in T-Coupling group System is 45.00
 94: 
 94: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_10_input.mdp]:
@@ -333732,6 +333614,15 @@
 94: 
 94: 
 94: There were 4 NOTEs
+94: Generated 3 of the 6 non-bonded parameter combinations
+94: 
+94: Excluding 3 bonded neighbours molecule type 'VSTEST'
+94: 
+94: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/vsite_test.gro', all velocities are zero
+94: 
+94: Cleaning up constraints and constant bonded interactions with virtual sites
+94: 
+94: This run will generate roughly 0 Mb of data
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Can not increase nstlist because an NVE ensemble is used
 94: Update groups can not be used for this system because an incompatible virtual site type is used
@@ -333744,11 +333635,6 @@
 94:       and the -pin option is set to auto: will not pin threads to cpus.
 94:       This can lead to significant performance degradation.
 94:       Consider using -pin on (and -pinoffset in case you run multiple jobs).
-94: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/vsite_test.gro', all velocities are zero
-94: 
-94: Cleaning up constraints and constant bonded interactions with virtual sites
-94: 
-94: This run will generate roughly 0 Mb of data
 94: starting mdrun 'Virtual sites test system in vacuo'
 94: 8 steps,      0.0 ps.
 94: 
@@ -333757,24 +333643,22 @@
 94: 
 94: Dynamic load balancing report:
 94:  DLB was off during the run due to low measured imbalance.
-94:  Average load imbalance: 7.8%.
-94:  The balanceable part of the MD step is 41%, load imbalance is computed from this.
-94:  Part of the total run time spent waiting due to load imbalance: 3.2%.
+94:  Average load imbalance: 5.2%.
+94:  The balanceable part of the MD step is 42%, load imbalance is computed from this.
+94:  Part of the total run time spent waiting due to load imbalance: 2.2%.
 94: 
 94: 
 94: NOTE: 30 % of the run time was spent communicating energies,
 94:       you might want to increase some nst* mdp options
 94: 
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.002        0.001      189.7
+94:        Time:        0.002        0.001      189.4
 94:                  (ns/day)    (hour/ns)
-94: Performance:      834.141        0.029
+94: Performance:      849.568        0.028
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_10.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: 
-94: 
 94: Reading virtual site types...
 94: Reading virtual site types...
 94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/10 (5 ms)
@@ -333782,6 +333666,8 @@
 94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/11 (0 ms)
 94: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/12
 94: 
+94: 
+94: 
 94: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_12_input.mdp]:
 94:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 94:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -333800,21 +333686,13 @@
 94: Cleaning up constraints and constant bonded interactions with virtual sites
 94: Number of degrees of freedom in T-Coupling group System is 45.00
 94: 
-94: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 94: 
-94: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_12_input.mdp]:
+94: pectations_VirtualSiteTest_WithinToleranceOfReference_12_input.mdp]:
 94:   There are 6 non-linear virtual site constructions. Their contribution to
 94:   the energy error is approximated. In most cases this does not affect the
 94:   error significantly.
 94: 
-94: 
-94: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_12_input.mdp]:
-94:   You are using a plain Coulomb cut-off, which might produce artifacts.
-94:   You might want to consider using PME electrostatics.
-94: 
-94: 
-94: 
-94: There were 4 NOTEs
+94: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExDetermining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 94: 
 94: Calculated rlist for 1x1 atom pair-list as 0.715 nm, buffer size 0.015 nm
 94: 
@@ -333823,6 +333701,14 @@
 94: Note that mdrun will redetermine rlist based on the actual pair-list setup
 94: 
 94: This run will generate roughly 0 Mb of data
+94: 
+94: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_12_input.mdp]:
+94:   You are using a plain Coulomb cut-off, which might produce artifacts.
+94:   You might want to consider using PME electrostatics.
+94: 
+94: 
+94: 
+94: There were 4 NOTEs
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Changing nstlist from 8 to 50, rlist from 0.712 to 0.801
 94: 
@@ -333845,20 +333731,13 @@
 94:       you might want to increase some nst* mdp options
 94: 
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.002        0.001      189.8
+94:        Time:        0.002        0.001      189.4
 94:                  (ns/day)    (hour/ns)
-94: Performance:      932.654        0.026
+94: Performance:      952.677        0.025
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: Reading virtual site types...
-94: Reading virtual site types...
 94: 
 94: 
-94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/12 (8 ms)
-94: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/13
-94: 
 94: NOTE 1 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_13_input.mdp]:
 94:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
 94:   that with the Verlet scheme, nstlist has no effect on the accuracy of
@@ -333868,17 +333747,8 @@
 94: NOTE 2 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_13_input.mdp]:
 94:   Setting nstcalcenergy (100) equal to nstenergy (4)
 94: 
-94: Generated 3 of the 6 non-bonded parameter combinations
-94: 
-94: Excluding 3 bonded neighbours molecule type 'VSTEST'
-94: 
-94: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/vsite_test.gro', all velocities are zero
-94: 
-94: Cleaning up constraints and constant bonded interactions with virtual sites
 94: Number of degrees of freedom in T-Coupling group System is 45.00
 94: 
-94: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-94: 
 94: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_13_input.mdp]:
 94:   There are 6 non-linear virtual site constructions. Their contribution to
 94:   the energy error is approximated. In most cases this does not affect the
@@ -333892,6 +333762,22 @@
 94: 
 94: 
 94: There were 4 NOTEs
+94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_12.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+94: 
+94: Reading virtual site types...
+94: Reading virtual site types...
+94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/12 (9 ms)
+94: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/13
+94: Generated 3 of the 6 non-bonded parameter combinations
+94: 
+94: Excluding 3 bonded neighbours molecule type 'VSTEST'
+94: 
+94: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/vsite_test.gro', all velocities are zero
+94: 
+94: Cleaning up constraints and constant bonded interactions with virtual sites
+94: 
+94: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 94: 
 94: Calculated rlist for 1x1 atom pair-list as 0.715 nm, buffer size 0.015 nm
 94: 
@@ -333918,13 +333804,13 @@
 94: 
 94: Writing final coordinates.
 94: 
-94: NOTE: 32 % of the run time was spent communicating energies,
+94: NOTE: 31 % of the run time was spent communicating energies,
 94:       you might want to increase some nst* mdp options
 94: 
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.002        0.001      188.7
+94:        Time:        0.002        0.001      188.5
 94:                  (ns/day)    (hour/ns)
-94: Performance:      913.967        0.026
+94: Performance:      921.976        0.026
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_13.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_13.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_13.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -333954,9 +333840,9 @@
 94: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/vsite_test.gro', all velocities are zero
 94: 
 94: Cleaning up constraints and constant bonded interactions with virtual sites
+94: Number of degrees of freedom in T-Coupling group System is 45.00
 94: 
 94: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
-94: Number of degrees of freedom in T-Coupling group System is 45.00
 94: 
 94: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_15_input.mdp]:
 94:   There are 6 non-linear virtual site constructions. Their contribution to
@@ -333964,14 +333850,6 @@
 94:   error significantly.
 94: 
 94: 
-94: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_15_input.mdp]:
-94:   You are using a plain Coulomb cut-off, which might produce artifacts.
-94:   You might want to consider using PME electrostatics.
-94: 
-94: 
-94: 
-94: There were 4 NOTEs
-94: 
 94: Calculated rlist for 1x1 atom pair-list as 0.715 nm, buffer size 0.015 nm
 94: 
 94: Set rlist, assuming 4x4 atom pair-list, to 0.712 nm, buffer size 0.012 nm
@@ -333979,6 +333857,14 @@
 94: Note that mdrun will redetermine rlist based on the actual pair-list setup
 94: 
 94: This run will generate roughly 0 Mb of data
+94: 
+94: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_15_input.mdp]:
+94:   You are using a plain Coulomb cut-off, which might produce artifacts.
+94:   You might want to consider using PME electrostatics.
+94: 
+94: 
+94: 
+94: There were 4 NOTEs
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_15.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Changing nstlist from 8 to 50, rlist from 0.712 to 0.801
 94: 
@@ -333997,13 +333883,13 @@
 94: 
 94: Writing final coordinates.
 94: 
-94: NOTE: 31 % of the run time was spent communicating energies,
+94: NOTE: 30 % of the run time was spent communicating energies,
 94:       you might want to increase some nst* mdp options
 94: 
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.002        0.001      189.9
+94:        Time:        0.002        0.001      190.1
 94:                  (ns/day)    (hour/ns)
-94: Performance:      883.274        0.027
+94: Performance:      871.707        0.028
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_15.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_15.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_15.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -334074,13 +333960,13 @@
 94: 
 94: Writing final coordinates.
 94: 
-94: NOTE: 31 % of the run time was spent communicating energies,
+94: NOTE: 30 % of the run time was spent communicating energies,
 94:       you might want to increase some nst* mdp options
 94: 
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.002        0.001      189.3
+94:        Time:        0.002        0.001      189.0
 94:                  (ns/day)    (hour/ns)
-94: Performance:      867.418        0.028
+94: Performance:      858.852        0.028
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_16.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_16.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_16.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -334110,9 +333996,9 @@
 94: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/vsite_test.gro', all velocities are zero
 94: 
 94: Cleaning up constraints and constant bonded interactions with virtual sites
-94: Number of degrees of freedom in T-Coupling group System is 45.00
 94: 
 94: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+94: Number of degrees of freedom in T-Coupling group System is 45.00
 94: 
 94: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_18_input.mdp]:
 94:   There are 6 non-linear virtual site constructions. Their contribution to
@@ -334153,19 +334039,19 @@
 94: 
 94: Writing final coordinates.
 94: 
-94: NOTE: 33 % of the run time was spent communicating energies,
+94: NOTE: 31 % of the run time was spent communicating energies,
 94:       you might want to increase some nst* mdp options
 94: 
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.002        0.001      190.6
+94:        Time:        0.002        0.001      190.3
 94:                  (ns/day)    (hour/ns)
-94: Performance:      888.448        0.027
+94: Performance:      954.071        0.025
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_18.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_18.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: 
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_18.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_18.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: 
+94: 
 94: Reading virtual site types...
 94: Reading virtual site types...
 94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/18 (8 ms)
@@ -334199,17 +334085,17 @@
 94: 
 94: Calculated rlist for 1x1 atom pair-list as 0.715 nm, buffer size 0.015 nm
 94: 
-94: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExSet rlist, assuming 4x4 atom pair-list, to 0.712 nm, buffer size 0.012 nm
+94: Set rlist, assuming 4x4 atom pair-list, to 0.712 nm, buffer size 0.012 nm
 94: 
 94: Note that mdrun will redetermine rlist based on the actual pair-list setup
 94: 
-94: This run will generate roughly 0 Mb of data
 94: 
-94: pectations_VirtualSiteTest_WithinToleranceOfReference_19_input.mdp]:
+94: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_19_input.mdp]:
 94:   You are using a plain Coulomb cut-off, which might produce artifacts.
 94:   You might want to consider using PME electrostatics.
 94: 
 94: 
+94: This run will generate roughly 0 Mb of data
 94: 
 94: There were 4 NOTEs
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_19.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -334230,21 +334116,21 @@
 94: 
 94: Writing final coordinates.
 94: 
-94: NOTE: 31 % of the run time was spent communicating energies,
+94: NOTE: 30 % of the run time was spent communicating energies,
 94:       you might want to increase some nst* mdp options
 94: 
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.002        0.001      189.4
+94:        Time:        0.002        0.001      188.8
 94:                  (ns/day)    (hour/ns)
-94: Performance:      927.878        0.026
+94: Performance:      958.980        0.025
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_19.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_19.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_19.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_19.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: 
-94: 
 94: Reading virtual site types...
 94: Reading virtual site types...
+94: 
+94: 
 94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/19 (9 ms)
 94: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/20
 94: 
@@ -334264,9 +334150,9 @@
 94: Taking velocities from '/build/reproducible-path/gromacs-2025.2/src/testutils/simulationdatabase/vsite_test.gro', all velocities are zero
 94: 
 94: Cleaning up constraints and constant bonded interactions with virtual sites
-94: Number of degrees of freedom in T-Coupling group System is 45.00
 94: 
 94: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
+94: Number of degrees of freedom in T-Coupling group System is 45.00
 94: 
 94: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_20_input.mdp]:
 94:   There are 6 non-linear virtual site constructions. Their contribution to
@@ -334311,9 +334197,9 @@
 94:       you might want to increase some nst* mdp options
 94: 
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.002        0.001      189.2
+94:        Time:        0.001        0.001      189.1
 94:                  (ns/day)    (hour/ns)
-94: Performance:      961.808        0.025
+94: Performance:      986.239        0.024
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_20.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_20.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_20.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
@@ -334353,21 +334239,13 @@
 94: Cleaning up constraints and constant bonded interactions with virtual sites
 94: Number of degrees of freedom in T-Coupling group System is 45.00
 94: 
-94: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 94: 
-94: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_27_input.mdp]:
+94: pectations_VirtualSiteTest_WithinToleranceOfReference_27_input.mdp]:
 94:   There are 6 non-linear virtual site constructions. Their contribution to
 94:   the energy error is approximated. In most cases this does not affect the
 94:   error significantly.
 94: 
-94: 
-94: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_27_input.mdp]:
-94:   You are using a plain Coulomb cut-off, which might produce artifacts.
-94:   You might want to consider using PME electrostatics.
-94: 
-94: 
-94: 
-94: There were 4 NOTEs
+94: NOTE 3 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExDetermining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K
 94: 
 94: Calculated rlist for 1x1 atom pair-list as 0.732 nm, buffer size 0.032 nm
 94: 
@@ -334376,6 +334254,14 @@
 94: Note that mdrun will redetermine rlist based on the actual pair-list setup
 94: 
 94: This run will generate roughly 0 Mb of data
+94: 
+94: NOTE 4 [file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_27_input.mdp]:
+94:   You are using a plain Coulomb cut-off, which might produce artifacts.
+94:   You might want to consider using PME electrostatics.
+94: 
+94: 
+94: 
+94: There were 4 NOTEs
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_27.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Changing nstlist from 8 to 100, rlist from 0.728 to 0.805
 94: 
@@ -334394,21 +334280,21 @@
 94: 
 94: Writing final coordinates.
 94: 
-94: NOTE: 31 % of the run time was spent communicating energies,
+94: NOTE: 30 % of the run time was spent communicating energies,
 94:       you might want to increase some nst* mdp options
 94: 
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.002        0.001      190.3
+94:        Time:        0.002        0.001      189.5
 94:                  (ns/day)    (hour/ns)
-94: Performance:      922.889        0.026
+94: Performance:      964.082        0.025
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_27.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_27.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_27.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_27.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
-94: Reading virtual site types...
-94: Reading virtual site types...
 94: 
 94: 
+94: Reading virtual site types...
+94: Reading virtual site types...
 94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/27 (11 ms)
 94: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/28
 94: 
@@ -334442,8 +334328,6 @@
 94: 
 94: 
 94: 
-94: There were 4 NOTEs
-94: 
 94: Calculated rlist for 1x1 atom pair-list as 0.732 nm, buffer size 0.032 nm
 94: 
 94: Set rlist, assuming 4x4 atom pair-list, to 0.728 nm, buffer size 0.028 nm
@@ -334451,6 +334335,8 @@
 94: Note that mdrun will redetermine rlist based on the actual pair-list setup
 94: 
 94: This run will generate roughly 0 Mb of data
+94: 
+94: There were 4 NOTEs
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_28.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Changing nstlist from 8 to 100, rlist from 0.728 to 0.805
 94: 
@@ -334473,15 +334359,15 @@
 94:       you might want to increase some nst* mdp options
 94: 
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.002        0.001      189.2
+94:        Time:        0.002        0.001      188.7
 94:                  (ns/day)    (hour/ns)
-94: Performance:      899.225        0.027
-94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_28.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+94: Performance:      921.195        0.026
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_28.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_28.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_28.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading virtual site types...
 94: Reading virtual site types...
+94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_28.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: 
 94: 
 94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/28 (11 ms)
@@ -334544,17 +334430,19 @@
 94: 
 94: Writing final coordinates.
 94: 
-94: NOTE: 30 % of the run time was spent communicating energies,
+94: NOTE: 31 % of the run time was spent communicating energies,
 94:       you might want to increase some nst* mdp options
 94: 
 94:                Core t (s)   Wall t (s)        (%)
-94:        Time:        0.002        0.001      189.1
+94:        Time:        0.002        0.001      188.9
 94:                  (ns/day)    (hour/ns)
-94: Performance:      870.543        0.028
+94: Performance:      943.718        0.025
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_29.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_29.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+94: 
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_29.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
 94: Reading file /build/reproducible-path/gromacs-2025.2/build/mpi/src/programs/mdrun/tests/Testing/Temporary/VelocitiesConformToExpectations_VirtualSiteTest_WithinToleranceOfReference_29.tpr, VERSION 2025.2-Debian_2025.2_1 (single precision)
+94: 
 94: Reading virtual site types...
 94: Reading virtual site types...
 94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/29 (11 ms)
@@ -334569,15 +334457,13 @@
 94: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/34
 94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/34 (0 ms)
 94: [ RUN      ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/35
-94: 
-94: 
 94: [       OK ] VelocitiesConformToExpectations/VirtualSiteTest.WithinToleranceOfReference/35 (0 ms)
-94: [----------] 36 tests from VelocitiesConformToExpectations/VirtualSiteTest (216 ms total)
+94: [----------] 36 tests from VelocitiesConformToExpectations/VirtualSiteTest (192 ms total)
 94: 
 94: [----------] Global test environment tear-down
-94: [==========] 37 tests from 2 test suites ran. (230 ms total)
+94: [==========] 37 tests from 2 test suites ran. (199 ms total)
 94: [  PASSED  ] 37 tests.
-94/96 Test #94: MdrunVirtualSiteTests ........................   Passed    0.42 sec
+94/96 Test #94: MdrunVirtualSiteTests ........................   Passed    0.35 sec
 test 95
       Start 95: EnsembleHistogramPotentialPlugin.ForceCalc
 
@@ -334596,7 +334482,7 @@
 95: [----------] Global test environment tear-down
 95: [==========] 1 test from 1 test suite ran. (0 ms total)
 95: [  PASSED  ] 1 test.
-95/96 Test #95: EnsembleHistogramPotentialPlugin.ForceCalc ...   Passed    0.07 sec
+95/96 Test #95: EnsembleHistogramPotentialPlugin.ForceCalc ...   Passed    0.06 sec
 test 96
       Start 96: EnsembleBoundingPotentialPlugin.ForceCalc
 
@@ -334620,15 +334506,15 @@
 100% tests passed, 0 tests failed out of 96
 
 Label Time Summary:
-GTest              = 826.26 sec*proc (92 tests)
-IntegrationTest    = 764.00 sec*proc (31 tests)
-MpiTest            = 628.99 sec*proc (23 tests)
-QuickGpuTest       =  79.49 sec*proc (23 tests)
-SlowGpuTest        = 711.99 sec*proc (14 tests)
-SlowTest           =  53.36 sec*proc (14 tests)
-UnitTest           =   8.89 sec*proc (47 tests)
+GTest              = 841.05 sec*proc (92 tests)
+IntegrationTest    = 781.45 sec*proc (31 tests)
+MpiTest            = 648.31 sec*proc (23 tests)
+QuickGpuTest       =  77.81 sec*proc (23 tests)
+SlowGpuTest        = 735.24 sec*proc (14 tests)
+SlowTest           =  51.41 sec*proc (14 tests)
+UnitTest           =   8.19 sec*proc (47 tests)
 
-Total Test time (real) = 318.49 sec
+Total Test time (real) = 319.34 sec
 touch build-mpi
 dh_testdir
 (mkdir -p build/documentation ; cd build/documentation; \
@@ -334863,8 +334749,8 @@
 -- Performing Test HAVE_NO_IMPLICIT_INT_FLOAT_CONVERSION - Success
 -- Found Sphinx: /usr/bin/sphinx-build (found suitable version "8.1.3", minimum required is "4.0.0") found components: pygments
 -- Found LATEX: /usr/bin/latex
--- Configuring done (34.1s)
--- Generating done (0.7s)
+-- Configuring done (33.0s)
+-- Generating done (0.8s)
 -- Build files have been written to: /build/reproducible-path/gromacs-2025.2/build/documentation
 /usr/bin/make -j12 manual -C build/documentation
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@@ -334879,222 +334765,203 @@
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/docs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/docs /build/reproducible-path/gromacs-2025.2/build/documentation/docs/CMakeFiles/sphinx-image-conversion.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2025.2-Debian_2025.2_1 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2025.2 -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2025.2/build/documentation/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2025.2/build/documentation/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2025.2-1 -P /build/reproducible-path/gromacs-2025.2/cmake/gmxGenerateVersionInfoWithoutGit.cmake
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/bwlzh.c
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvar.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -Wno-stringop-truncation -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -MF CMakeFiles/linearalgebra.dir/eigensolver.cpp.o.d -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/eigensolver.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/plots/f-bond.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/plots/f-bond.png
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/plots/drift-all.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/plots/drift-all.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-deprecated-non-prototype -MD -MT src/gromacs/CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/deflate.c.o -MF CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/deflate.c.o.d -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/deflate.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib/deflate.c
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/coder.c
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -MD -MT src/gromacs/selection/CMakeFiles/scanner.dir/scanner.cpp.o -MF CMakeFiles/scanner.dir/scanner.cpp.o.d -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/selection/scanner.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/plots/fp-highres.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/plots/fp-highres.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/alltoall.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/alltoall.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/alltoall.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/alltoall.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/plots/f-angle.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/plots/f-angle.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/dict.c
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/fixpoint.c
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-deprecated-non-prototype -MD -MT src/gromacs/CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/inffast.c.o -MF CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/inffast.c.o.d -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/inffast.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib/inffast.c
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/plots/int-mat.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/plots/int-mat.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_protocol.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_protocol.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_protocol.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/p2p_protocol.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/plots/f-bond.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/plots/f-bond.png
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/fixpoint.c
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/plots/mdpar.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/plots/mdpar.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/huffman.c
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -Wno-stringop-truncation -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -MF CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o.d -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/gmx_arpack.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/plots/fp-highres.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/plots/fp-highres.png
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -MD -MT src/gromacs/selection/CMakeFiles/scanner.dir/scanner.cpp.o -MF CMakeFiles/scanner.dir/scanner.cpp.o.d -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/selection/scanner.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-deprecated-non-prototype -MD -MT src/gromacs/CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/inflate.c.o -MF CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/inflate.c.o.d -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/inflate.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib/inflate.c
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/barrier.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/barrier.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/barrier.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/barrier.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/plots/parsort.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/plots/parsort.png
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/plots/ring.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/plots/ring.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/huffmem.c
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -Wno-stringop-truncation -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/matrix.cpp.o -MF CMakeFiles/linearalgebra.dir/matrix.cpp.o.d -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/matrix.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-deprecated-non-prototype -MD -MT src/gromacs/CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/inffast.c.o -MF CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/inffast.c.o.d -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/inffast.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib/inffast.c
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/plots/int-mat.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/plots/int-mat.png
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/plots/ring.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/plots/ring.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/plots/shiftf.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/plots/shiftf.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/profile.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/profile.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/profile.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/profile.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/comm.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/comm.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/comm.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/comm.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/flowchart.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/flowchart.png
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/collective.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/collective.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/collective.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/collective.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/tng_compress.c
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/dd-cells.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/dd-cells.png
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/dd-tric.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/dd-tric.png
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/flowchart.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/flowchart.png
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvaratoms.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-deprecated-non-prototype -MD -MT src/gromacs/CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/zutil.c.o -MF CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/zutil.c.o.d -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/zutil.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib/zutil.c
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_init.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_init.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_init.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/tmpi_init.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/xtc2.c
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-deprecated-non-prototype -MD -MT src/gromacs/CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/uncompr.c.o -MF CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/uncompr.c.o.d -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/uncompr.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib/uncompr.c
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-deprecated-non-prototype -MD -MT src/gromacs/CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/zutil.c.o -MF CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/zutil.c.o.d -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/zutil.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib/zutil.c
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/free1.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/free1.png
-[  1%] Built target tng_io_zlib
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/free2.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/free2.png
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/xtc3.c
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/topology.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/topology.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/topology.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/topology.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/_deps/muparser-build && /usr/bin/c++ -DGMX_DOUBLE=0 -DMUPARSERLIB_EXPORTS -DMUPARSER_DLL -D_DEBUG -Dmuparser_EXPORTS -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wno-long-long -pedantic -g -std=c++11 -fPIC -MD -MT _deps/muparser-build/CMakeFiles/muparser.dir/src/muParserDLL.cpp.o -MF CMakeFiles/muparser.dir/src/muParserDLL.cpp.o.d -o CMakeFiles/muparser.dir/src/muParserDLL.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/muparser/src/muParserDLL.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/behaviorcollection.cpp.o -MF CMakeFiles/options.dir/behaviorcollection.cpp.o.d -o CMakeFiles/options.dir/behaviorcollection.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/behaviorcollection.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvaratoms.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvaratoms.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/list.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/list.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/list.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/list.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/lib/tng_io.c
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -Wno-stringop-truncation -MD -MT src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -MF CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o.d -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/sparsematrix.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/list.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/list.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/list.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/list.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/_deps/muparser-build && /usr/bin/c++ -DGMX_DOUBLE=0 -DMUPARSERLIB_EXPORTS -DMUPARSER_DLL -D_DEBUG -Dmuparser_EXPORTS -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wno-long-long -pedantic -g -std=c++11 -fPIC -MD -MT _deps/muparser-build/CMakeFiles/muparser.dir/src/muParserCallback.cpp.o -MF CMakeFiles/muparser.dir/src/muParserCallback.cpp.o.d -o CMakeFiles/muparser.dir/src/muParserCallback.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/muparser/src/muParserCallback.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+[  1%] Built target scanner
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abf.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abf.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abf.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_abf.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/compression/xtc3.c
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/scan.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/behaviorcollection.cpp.o -MF CMakeFiles/options.dir/behaviorcollection.cpp.o.d -o CMakeFiles/options.dir/behaviorcollection.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/behaviorcollection.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/numa_malloc.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/numa_malloc.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/numa_malloc.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/numa_malloc.cpp
 [  1%] Built target linearalgebra
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/filenameoption.cpp.o -MF CMakeFiles/options.dir/filenameoption.cpp.o.d -o CMakeFiles/options.dir/filenameoption.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/filenameoption.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/free2.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/free2.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/leapfrog.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/leapfrog.png
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/lib/md5.c
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/lincs.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/lincs.png
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/maxwell.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/maxwell.png
-[  1%] Built target scanner
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/lib/tng_io.c
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/filenameoption.cpp.o -MF CMakeFiles/options.dir/filenameoption.cpp.o.d -o CMakeFiles/options.dir/filenameoption.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/filenameoption.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/_deps/muparser-build && /usr/bin/c++ -DGMX_DOUBLE=0 -DMUPARSERLIB_EXPORTS -DMUPARSER_DLL -D_DEBUG -Dmuparser_EXPORTS -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wno-long-long -pedantic -g -std=c++11 -fPIC -MD -MT _deps/muparser-build/CMakeFiles/muparser.dir/src/muParserError.cpp.o -MF CMakeFiles/muparser.dir/src/muParserError.cpp.o.d -o CMakeFiles/muparser.dir/src/muParserError.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/muparser/src/muParserError.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/mpmd-pme.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/mpmd-pme.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/nstric.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/nstric.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/once.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/par-lincs2.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/par-lincs2.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/_deps/muparser-build && /usr/bin/c++ -DGMX_DOUBLE=0 -DMUPARSERLIB_EXPORTS -DMUPARSER_DLL -D_DEBUG -Dmuparser_EXPORTS -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wno-long-long -pedantic -g -std=c++11 -fPIC -MD -MT _deps/muparser-build/CMakeFiles/muparser.dir/src/muParserInt.cpp.o -MF CMakeFiles/muparser.dir/src/muParserInt.cpp.o.d -o CMakeFiles/muparser.dir/src/muParserInt.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/muparser/src/muParserInt.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/pbctric.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/pbctric.png
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-[  2%] Built target thread_mpi
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/_deps/muparser-build && /usr/bin/c++ -DGMX_DOUBLE=0 -DMUPARSERLIB_EXPORTS -DMUPARSER_DLL -D_DEBUG -Dmuparser_EXPORTS -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wno-long-long -pedantic -g -std=c++11 -fPIC -MD -MT _deps/muparser-build/CMakeFiles/muparser.dir/src/muParserTokenReader.cpp.o -MF CMakeFiles/muparser.dir/src/muParserTokenReader.cpp.o.d -o CMakeFiles/muparser.dir/src/muParserTokenReader.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/muparser/src/muParserTokenReader.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/rhododec.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/rhododec.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/truncoct.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/truncoct.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/verlet-drift.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/verlet-drift.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/external/zlib -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -MF CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o.d -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/reproducible-path/gromacs-2025.2/src/external/tng_io/src/lib/md5.c
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/angle.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/angle.png
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/filenameoptionmanager.cpp.o -MF CMakeFiles/options.dir/filenameoptionmanager.cpp.o.d -o CMakeFiles/options.dir/filenameoptionmanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/filenameoptionmanager.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/scan.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/mpmd-pme.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/mpmd-pme.png
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/energyanalysis && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -Wno-cast-function-type-strict -MD -MT src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/energyterm.cpp.o -MF CMakeFiles/energyanalysis.dir/energyterm.cpp.o.d -o CMakeFiles/energyanalysis.dir/energyterm.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis/energyterm.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/bstretch.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/bstretch.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/chain.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/chain.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/dummies.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/dummies.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-bham.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-bham.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/fbposres.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/fbposres.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-dih.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-dih.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/filenameoptionmanager.cpp.o -MF CMakeFiles/options.dir/filenameoptionmanager.cpp.o.d -o CMakeFiles/options.dir/filenameoptionmanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/filenameoptionmanager.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-dr.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-dr.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/fig-02.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/fig-02.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/fig-04.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/fig-04.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-imps.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-imps.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/options.cpp.o -MF CMakeFiles/options.dir/options.cpp.o.d -o CMakeFiles/options.dir/options.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/options.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/numa_malloc.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/numa_malloc.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/numa_malloc.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/numa_malloc.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/nstric.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/nstric.png
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o -MF CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o.d -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/src/once.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/par-lincs2.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/par-lincs2.png
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+[  2%] Built target thread_mpi
 /usr/bin/make  -f docs/CMakeFiles/sphinx-input-rst.dir/build.make docs/CMakeFiles/sphinx-input-rst.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/docs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/docs /build/reproducible-path/gromacs-2025.2/build/documentation/docs/CMakeFiles/sphinx-input-rst.dir/DependInfo.cmake "--color="
@@ -335105,160 +334972,145 @@
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -D VERSION_VARIABLES=/build/reproducible-path/gromacs-2025.2/build/documentation/VersionInfo.cmake -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2025.2/docs/conf.cmakein.py -D VERSION_OUT=/build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/conf.py -D CMAKE_MINIMUM_REQUIRED_VERSION=3.28 -D EXPECTED_DOXYGEN_VERSION=1.8.5 -D EXPECTED_SPHINX_VERSION=4.0.0 -D GMX_ADMIN_DIR=/build/reproducible-path/gromacs-2025.2/admin -D GMX_CLANG_MINIMUM_REQUIRED_VERSION=14 -D GMX_GCC_MINIMUM_REQUIRED_VERSION=11 -D GMX_LMFIT_REQUIRED_VERSION=7.0 -D "GMX_MANUAL_DOI_STRING=This is not a release build of GROMACS, so please reference one of the GROMACS papers and the base release of the manual." -D GMX_TNG_MINIMUM_REQUIRED_VERSION=1.7.10 -D "GMX_SOURCE_DOI_STRING=This is not a release build of GROMACS. Please reference one of the GROMACS papers, as well as the base release that this version is built from. Also, please state what modifcations have been performed or where the version was sourced from." -D GMXAPI_PYTHON_STAGING_DIR=/build/reproducible-path/gromacs-2025.2/build/documentation/python_packaging/gmxapi/gmxapi_staging -D IMAGE_CONVERT_STRING=gmx_image_convert_possible -D REGRESSIONTEST_VERSION=2025.2 -D GMX_CUDA_MINIMUM_REQUIRED_COMPUTE_CAPABILITY=5.0 -D GMX_CUDA_MINIMUM_REQUIRED_VERSION=12.1 -D REQUIRED_OPENCL_MIN_VERSION= -D REGRESSIONTEST_MD5SUM_STRING=unknown -D RELENG_PATH= -D SOURCE_MD5SUM=unknown -D SPHINX_EXTENSION_PATH=/build/reproducible-path/gromacs-2025.2/docs -D "GMX_CURRENT_CONTRIBUTORS_STRING=Mark Abraham, Andrey Alekseenko, Brian Andrews, Vladimir Basov, Paul Bauer, Hugh Bird, Eliane Briand, Ania Brown, Mahesh Doijade, Giacomo Fiorin, Stefan Fleischmann, Sergey Gorelov, Gilles Gouaillardet, Alan Gray, M. Eric Irrgang, Farzaneh Jalalypour, Petter Johansson, Carsten Kutzner, Grzegorz Łazarski, Justin A. Lemkul, Magnus Lundborg, Pascal Merz, Vedran Miletić, Dmitry Morozov, Lukas Müllender, Julien Nabet, Szilárd Páll, Andrea Pasquadibisceglie, Michele Pellegrino, Nicola Piasentin, Daniele Rapetti, Muhammad Umair Sadiq, Hubert Santuz, Roland Schulz, Michael Shirts, Tatiana Shugaeva, Alexey Shvetsov, Philip Turner, Alessandra Villa, Sebastian Wingbermühle" -D "GMX_PREVIOUS_CONTRIBUTORS_STRING=Emile Apol, Rossen Apostolov, James Barnett, Herman J.C. Berendsen, Cathrine Bergh, Par Bjelkmar, Christian Blau, Viacheslav Bolnykh, Kevin Boyd, Aldert van Buuren, Carlo Camilloni, Rudi van Drunen, Anton Feenstra, Oliver Fleetwood, Vytas Gapsys, Gaurav Garg, Gerrit Groenhof, Bert de Groot, Anca Hamuraru, Vincent Hindriksen, Victor Holanda, Aleksei Iupinov, Joe Jordan, Christoph Junghans, Prashanth Kanduri, Dimitrios Karkoulis, Peter Kasson, Sebastian Kehl, Sebastian Keller, Jiri Kraus, Per Larsson, Viveca Lindahl, Erik Marklund, Pieter Meulenhoff, Teemu Murtola, Sander Pronk, Alfons Sijbers, Balint Soproni, David van der Spoel, Peter Tieleman, Carsten Uphoff, Jon Vincent, Teemu Virolainen, Christian Wennberg, Maarten Wolf, Artem Zhmurov" -D "GMX_CURRENT_PROJECT_LEADERS_STRING=Berk Hess, Erik Lindahl" -P /build/reproducible-path/gromacs-2025.2/cmake/gmxConfigureVersionInfo.cmake
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E touch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/conf.py
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/index.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/index.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/pbctric.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/pbctric.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/texindex.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/texindex.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/download.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/download.rst
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/links.dat /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/links.dat
-[  2%] Built target energyanalysis
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abf.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abf.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abf.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_abf.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-lj.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-lj.png
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 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/build-system.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/build-system.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/rhododec.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/rhododec.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/change-management.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/change-management.rst
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/_deps/muparser-build && /usr/bin/c++ -DGMX_DOUBLE=0 -DMUPARSERLIB_EXPORTS -DMUPARSER_DLL -D_DEBUG -Dmuparser_EXPORTS -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wno-long-long -pedantic -g -std=c++11 -fPIC -MD -MT _deps/muparser-build/CMakeFiles/muparser.dir/src/muParserDLL.cpp.o -MF CMakeFiles/muparser.dir/src/muParserDLL.cpp.o.d -o CMakeFiles/muparser.dir/src/muParserDLL.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/muparser/src/muParserDLL.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-morse.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-morse.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/contribute.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/contribute.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abmd.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abmd.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_abmd.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_abmd.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/doxygen.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/doxygen.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/error-handling.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/error-handling.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/truncoct.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/truncoct.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/formatting.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/formatting.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-pr.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-pr.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/gitlab-ci.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/gitlab-ci.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/gmxtree.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/gmxtree.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/includestyle.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/includestyle.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/index.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/index.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_alb.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_alb.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_alb.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_alb.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/verlet-drift.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/verlet-drift.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/infrastructure.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/infrastructure.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/known-issues.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/known-issues.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/language-features.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/language-features.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/naming.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/naming.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-rbs.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-rbs.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/overview.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/overview.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/physical_validation.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/physical_validation.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/angle.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/angle.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/redmine-states.png /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/redmine-states.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/relocatable-binaries.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/relocatable-binaries.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/ring-imp.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/ring-imp.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/reportstyle.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/reportstyle.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/style.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/style.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/testutils.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/testutils.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/bstretch.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/bstretch.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/tools.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/tools.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/dev-manual/code-formatting.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/dev-manual/code-formatting.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/fragments/doxygen-links.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/fragments/doxygen-links.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/softcore.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/softcore.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/how-to/index.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/how-to/index.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/how-to/beginners.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/how-to/beginners.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/how-to/topology.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/how-to/topology.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/chain.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/chain.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/how-to/special.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/how-to/special.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/gapsys-sc.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/gapsys-sc.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/how-to/visualize.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/how-to/visualize.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/install-guide/index.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/install-guide/index.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/dummies.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/dummies.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/install-guide/exotic.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/install-guide/exotic.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/plots/GMX_logos/gmx_logo_blue.svg /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/plots/GMX_logos/gmx_logo_blue.svg
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/index.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/index.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2025/2025.1.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2025/2025.1.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-bham.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-bham.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2025/2025.2.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2025/2025.2.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2025/major/highlights.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2025/major/highlights.rst
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2025/major/features.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2025/major/features.rst
+/usr/bin/make  -f src/programs/CMakeFiles/gmx_objlib.dir/build.make src/programs/CMakeFiles/gmx_objlib.dir/depend
+[  2%] Built target energyanalysis
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/programs /build/reproducible-path/gromacs-2025.2/build/documentation/src/programs/CMakeFiles/gmx_objlib.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/options.cpp.o -MF CMakeFiles/options.dir/options.cpp.o.d -o CMakeFiles/options.dir/options.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/options.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+/usr/bin/make  -f src/programs/CMakeFiles/gmx_objlib.dir/build.make src/programs/CMakeFiles/gmx_objlib.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -MD -MT src/programs/CMakeFiles/gmx_objlib.dir/gmx.cpp.o -MF CMakeFiles/gmx_objlib.dir/gmx.cpp.o.d -o CMakeFiles/gmx_objlib.dir/gmx.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/gmx.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2025/major/performance.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2025/major/performance.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2025/major/tools.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2025/major/tools.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/fbposres.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/fbposres.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2025/major/bugs-fixed.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2025/major/bugs-fixed.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2025/major/removed-functionality.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2025/major/removed-functionality.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2025/major/deprecated-functionality.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2025/major/deprecated-functionality.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2025/major/portability.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2025/major/portability.rst
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/subst-im.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/subst-im.png
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-dih.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-dih.png
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-dr.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-dr.png
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2024/major/deprecated-functionality.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2024/major/deprecated-functionality.rst
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/fig-02.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/fig-02.png
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2024/major/portability.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2024/major/portability.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2024/major/miscellaneous.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2024/major/miscellaneous.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2024/major/api.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2024/major/api.rst
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 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2023/2023.2.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2023/2023.2.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2023/2023.3.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2023/2023.3.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/awh-pmfs.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/awh-pmfs.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2023/2023.4.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2023/2023.4.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2023/2023.5.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2023/2023.5.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2023/2023.6.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2023/2023.6.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/fig-04.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/fig-04.png
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 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2023/major/features.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2023/major/features.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2023/major/performance.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2023/major/performance.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2023/major/tools.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2023/major/tools.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -MD -MT src/programs/CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o -MF CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o.d -o CMakeFiles/gmx_objlib.dir/legacymodules.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/programs/legacymodules.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2023/major/bugs-fixed.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2023/major/bugs-fixed.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2023/major/removed-functionality.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2023/major/removed-functionality.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/optionsassigner.cpp.o -MF CMakeFiles/options.dir/optionsassigner.cpp.o.d -o CMakeFiles/options.dir/optionsassigner.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/optionsassigner.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2023/major/deprecated-functionality.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2023/major/deprecated-functionality.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/awh-sampleweights.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/awh-sampleweights.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2023/major/portability.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2023/major/portability.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2023/major/miscellaneous.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2023/major/miscellaneous.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-imps.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-imps.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2023/major/api.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2023/major/api.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2022/2022.1.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2022/2022.1.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2022/2022.2.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2022/2022.2.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/awh-traj.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/awh-traj.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2022/2022.3.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2022/2022.3.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2022/2022.4.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2022/2022.4.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2022/2022.5.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2022/2022.5.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/optionsection.cpp.o -MF CMakeFiles/options.dir/optionsection.cpp.o.d -o CMakeFiles/options.dir/optionsection.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/optionsection.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2022/2022.6.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2022/2022.6.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2022/major/highlights.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2022/major/highlights.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2022/major/features.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2022/major/features.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/compelsetup.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/compelsetup.png
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-lj.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-lj.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2022/major/performance.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2022/major/performance.rst
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling/CMakeFiles/pulling.dir/DependInfo.cmake "--color="
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2022/major/tools.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2022/major/tools.rst
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-/usr/bin/make  -f src/gromacs/pulling/CMakeFiles/pulling.dir/build.make src/gromacs/pulling/CMakeFiles/pulling.dir/build
-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/output.cpp.o -MF CMakeFiles/pulling.dir/output.cpp.o.d -o CMakeFiles/pulling.dir/output.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/output.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/_deps/muparser-build && /usr/bin/c++ -DGMX_DOUBLE=0 -DMUPARSERLIB_EXPORTS -DMUPARSER_DLL -D_DEBUG -Dmuparser_EXPORTS -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wno-long-long -pedantic -g -std=c++11 -fPIC -MD -MT _deps/muparser-build/CMakeFiles/muparser.dir/src/muParserError.cpp.o -MF CMakeFiles/muparser.dir/src/muParserError.cpp.o.d -o CMakeFiles/muparser.dir/src/muParserError.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/muparser/src/muParserError.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2022/major/removed-functionality.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2022/major/removed-functionality.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-morse.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-morse.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2022/major/deprecated-functionality.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2022/major/deprecated-functionality.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2022/major/portability.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2022/major/portability.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2022/major/miscellaneous.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2022/major/miscellaneous.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2022/major/api.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2022/major/api.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2021/2021.7.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2021/2021.7.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/pull.cpp.o -MF CMakeFiles/pulling.dir/pull.cpp.o.d -o CMakeFiles/pulling.dir/pull.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/pull.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-pr.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-pr.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2021/2021.6.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2021/2021.6.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2021/2021.5.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2021/2021.5.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2021/2021.4.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2021/2021.4.rst
@@ -335266,8 +335118,8 @@
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2021/2021.2.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2021/2021.2.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2021/2021.1.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2021/2021.1.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2021/major/highlights.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2021/major/highlights.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-rbs.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-rbs.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2021/major/features.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2021/major/features.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/pull_rotation.cpp.o -MF CMakeFiles/pulling.dir/pull_rotation.cpp.o.d -o CMakeFiles/pulling.dir/pull_rotation.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/pull_rotation.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2021/major/tools.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2021/major/tools.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2021/major/bugs-fixed.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2021/major/bugs-fixed.rst
@@ -335275,19 +335127,19 @@
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2021/major/deprecated-functionality.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2021/major/deprecated-functionality.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2021/major/portability.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2021/major/portability.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2021/major/miscellaneous.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2021/major/miscellaneous.rst
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2020/2020.1.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2020/2020.1.rst
-[  5%] Built target gmx_objlib
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/ring-imp.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/ring-imp.png
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 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2020/2020.3.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2020/2020.3.rst
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/softcore.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/softcore.png
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/gapsys-sc.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/gapsys-sc.png
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 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2020/major/bugs-fixed.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2020/major/bugs-fixed.rst
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@@ -335296,150 +335148,157 @@
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_histogram.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/dumaro.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/dumaro.png
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/_deps/muparser-build && /usr/bin/c++ -DGMX_DOUBLE=0 -DMUPARSERLIB_EXPORTS -DMUPARSER_DLL -D_DEBUG -Dmuparser_EXPORTS -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wno-long-long -pedantic -g -std=c++11 -fPIC -MD -MT _deps/muparser-build/CMakeFiles/muparser.dir/src/muParserInt.cpp.o -MF CMakeFiles/muparser.dir/src/muParserInt.cpp.o.d -o CMakeFiles/muparser.dir/src/muParserInt.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/muparser/src/muParserInt.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/dumtypes.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/dumtypes.png
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/subst-im.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/subst-im.png
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/equipotential.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/equipotential.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram_reweight_amd.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram_reweight_amd.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram_reweight_amd.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_histogram_reweight_amd.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2019/major/portability.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2019/major/portability.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/tetra-im.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/tetra-im.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2019/major/miscellaneous.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2019/major/miscellaneous.rst
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/release-notes/2018/2018.7.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/release-notes/2018/2018.7.rst
+[  2%] Built target gmx_objlib
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/_deps/muparser-build && /usr/bin/c++ -DGMX_DOUBLE=0 -DMUPARSERLIB_EXPORTS -DMUPARSER_DLL -D_DEBUG -Dmuparser_EXPORTS -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wno-long-long -pedantic -g -std=c++11 -fPIC -MD -MT _deps/muparser-build/CMakeFiles/muparser.dir/src/muParserTokenReader.cpp.o -MF CMakeFiles/muparser.dir/src/muParserTokenReader.cpp.o.d -o CMakeFiles/muparser.dir/src/muParserTokenReader.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/muparser/src/muParserTokenReader.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/vsite-4fdn.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/functions/plots/vsite-4fdn.png
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/field.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/field.png
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/awh-invN.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/awh-invN.png
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/gaussians.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/gaussians.png
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/awh-sampleweights.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/awh-sampleweights.png
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 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/user-guide/force-fields.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/user-guide/force-fields.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/user-guide/getting-started.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/user-guide/getting-started.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/timeunitmanager.cpp.o -MF CMakeFiles/options.dir/timeunitmanager.cpp.o.d -o CMakeFiles/options.dir/timeunitmanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/timeunitmanager.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/user-guide/index.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/user-guide/index.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_meta.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_meta.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_meta.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_meta.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_opes.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_opes.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_opes.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_opes.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/user-guide/known-issues.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/user-guide/known-issues.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/user-guide/managing-simulations.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/user-guide/managing-simulations.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/compelsetup.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/compelsetup.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/user-guide/mdp-options.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/user-guide/mdp-options.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/rotation.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/rotation.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/user-guide/mdrun-features.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/user-guide/mdrun-features.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/user-guide/mdrun-performance.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/user-guide/mdrun-performance.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/user-guide/run-time-errors.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/user-guide/run-time-errors.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/user-guide/security.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/user-guide/security.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/user-guide/system-preparation.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/user-guide/system-preparation.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_alb.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_alb.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_alb.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_alb.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/user-guide/terminology.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/user-guide/terminology.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/gmxapi/index.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/gmxapi/index.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/gmxapi/userguide/install.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/gmxapi/userguide/install.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/gmxapi/userguide/pythonreference.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/gmxapi/userguide/pythonreference.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/pullcoordexpressionparser.cpp.o -MF CMakeFiles/pulling.dir/pullcoordexpressionparser.cpp.o.d -o CMakeFiles/pulling.dir/pullcoordexpressionparser.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/pullcoordexpressionparser.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/gmxapi/userguide/usage.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/gmxapi/userguide/usage.rst
-[  5%] Built target mdrun_objlib
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/pullutil.cpp.o -MF CMakeFiles/pulling.dir/pullutil.cpp.o.d -o CMakeFiles/pulling.dir/pullutil.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/pullutil.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/nblib/index.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/nblib/index.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/nblib/guide-to-writing-MD-programs.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/nblib/guide-to-writing-MD-programs.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/timeunitmanager.cpp.o -MF CMakeFiles/options.dir/timeunitmanager.cpp.o.d -o CMakeFiles/options.dir/timeunitmanager.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/timeunitmanager.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/index.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/index.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/preface.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/preface.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_histogram.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/introduction.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/introduction.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/definitions.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/definitions.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/topologies/topologies.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/topologies/topologies.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/dih-def.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/dih-def.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/topologies/particle-type.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/topologies/particle-type.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/topologies/parameter-files.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/topologies/parameter-files.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/topologies/molecule-definition.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/topologies/molecule-definition.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/distm.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/distm.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/topologies/constraint-algorithm-section.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/topologies/constraint-algorithm-section.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/topologies/pdb2gmx-input-files.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/topologies/pdb2gmx-input-files.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/topologies/topology-file-formats.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/topologies/topology-file-formats.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/topologies/force-field-organization.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/topologies/force-field-organization.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/file-formats.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/file-formats.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/hbond-insert.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/hbond-insert.png
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/run-parameters.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/run-parameters.rst
+[  4%] Built target tng_io_obj
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/dumaro.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/dumaro.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/details.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/details.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/averages.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/averages.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/references.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/references.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/plots/GMX_logos/gmx_falcon_blue.png /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/plots/GMX_logos/gmx_falcon_blue.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/plots/plotje.png /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/plots/plotje.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/hbond.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/hbond.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/plots/xvgr.png /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/plots/xvgr.png
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/dumtypes.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/dumtypes.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/algorithms.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/algorithms/algorithms.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/periodic-boundary-conditions.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/algorithms/periodic-boundary-conditions.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/group-concept.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/algorithms/group-concept.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/molecular-dynamics.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/algorithms/molecular-dynamics.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram_reweight_amd.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram_reweight_amd.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_histogram_reweight_amd.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_histogram_reweight_amd.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/treesupport.cpp.o -MF CMakeFiles/options.dir/treesupport.cpp.o.d -o CMakeFiles/options.dir/treesupport.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/treesupport.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/hpr-wheel.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/hpr-wheel.png
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/equipotential.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/equipotential.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/simulated-annealing.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/algorithms/simulated-annealing.rst
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_meta.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_meta.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_meta.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_meta.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/normal-mode-analysis.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/algorithms/normal-mode-analysis.rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/msdwater.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/msdwater.png
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/options && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/options/CMakeFiles/options.dir/treesupport.cpp.o -MF CMakeFiles/options.dir/treesupport.cpp.o.d -o CMakeFiles/options.dir/treesupport.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/options/treesupport.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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+[  4%] Built target mdrun_objlib
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/field.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/field.png
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/gaussians.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/gaussians.png
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/phipsi.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/phipsi.png
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/rama.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/rama.png
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/lambda-values.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/lambda-values.png
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_opes.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_opes.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_opes.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_opes.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_restraint.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_restraint.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarbias_restraint.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarbias_restraint.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/electric-fields.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/special/electric-fields.rst
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@@ -335447,88 +335306,99 @@
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/pulldirrel.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/pulldirrel.png
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/_deps/muparser-build && /usr/bin/cmake -E cmake_link_script CMakeFiles/muparser.dir/link.txt --verbose=1
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/tabulated-interaction-functions.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/special/tabulated-interaction-functions.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/qmmm.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/special/qmmm.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/vmd-imd.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/special/vmd-imd.rst
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/membrane-embedding.rst /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/special/membrane-embedding.rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/pull.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/special/plots/pull.png
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/rdfO-O.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/rdfO-O.png
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/rdf.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/rdf.png
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/transformationcoordinate.cpp.o -MF CMakeFiles/pulling.dir/transformationcoordinate.cpp.o.d -o CMakeFiles/pulling.dir/transformationcoordinate.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/transformationcoordinate.cpp
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E touch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-image-conversion-timestamp.txt
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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-[ 11%] Built target sphinx-image-conversion
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 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/free2.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/free2.pdf
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_angles.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_angles.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_angles.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_angles.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/lincs.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/lincs.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/maxwell.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/maxwell.pdf
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 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/nstric.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/nstric.pdf
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/hbond-insert.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/hbond-insert.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/pbctric.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/pbctric.pdf
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_angles.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_angles.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_angles.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_angles.cpp
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 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/truncoct.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/truncoct.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/algorithms/plots/verlet-drift.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/verlet-drift.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/angle.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/angle.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/bstretch.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/bstretch.pdf
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/hbond.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/hbond.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/chain.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/chain.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/dummies.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/dummies.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-bham.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/f-bham.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/fbposres.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/fbposres.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-dih.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/f-dih.pdf
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/hpr-wheel.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/hpr-wheel.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-dr.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/f-dr.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/fig-02.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/fig-02.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/fig-04.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/fig-04.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-imps.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/f-imps.pdf
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/msdwater.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/msdwater.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-lj.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/f-lj.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-morse.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/f-morse.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-pr.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/f-pr.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/f-rbs.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/f-rbs.pdf
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/phipsi.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/phipsi.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/ring-imp.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/ring-imp.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/softcore.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/softcore.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/gapsys-sc.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/gapsys-sc.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/subst-im.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/subst-im.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/tetra-im.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/tetra-im.pdf
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/rama.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/rama.png
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/vcrf.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/vcrf.pdf
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_apath.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_apath.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_apath.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_apath.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/functions/plots/vsite-4fdn.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/functions/plots/vsite-4fdn.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/awh-invN.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/special/plots/awh-invN.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/awh-pmfs.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/special/plots/awh-pmfs.pdf
@@ -335540,93 +335410,111 @@
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/equipotential.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/special/plots/equipotential.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/field.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/special/plots/field.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/gaussians.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/special/plots/gaussians.pdf
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_apath.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_apath.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_apath.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_apath.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/lambda-values.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/special/plots/lambda-values.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/pulldirrel.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/special/plots/pulldirrel.pdf
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/rdfO-O.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/rdfO-O.png
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_combination.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_combination.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_combination.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_combination.cpp
+/usr/bin/make  -f src/gromacs/pulling/CMakeFiles/pulling.dir/build.make src/gromacs/pulling/CMakeFiles/pulling.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling/CMakeFiles/pulling.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/pull.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/special/plots/pull.pdf
+[  7%] Built target options
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/gm convert /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/rdf.pdf -antialias -quality 03 -pointsize 12 -density 1200 -units PixelsPerInch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/rdf.png
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+/usr/bin/make  -f src/gromacs/pulling/CMakeFiles/pulling.dir/build.make src/gromacs/pulling/CMakeFiles/pulling.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/output.cpp.o -MF CMakeFiles/pulling.dir/output.cpp.o.d -o CMakeFiles/pulling.dir/output.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/output.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/pullref.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/special/plots/pullref.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/special/plots/rotation.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/special/plots/rotation.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/dih-def.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/dih-def.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/distm.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/distm.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/hbond-insert.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/hbond-insert.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/hbond.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/hbond.pdf
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_coordnums.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_coordnums.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_coordnums.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_coordnums.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E touch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-image-conversion-timestamp.txt
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/hpr-wheel.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/hpr-wheel.pdf
+[ 13%] Built target sphinx-image-conversion
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/msdwater.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/msdwater.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/phipsi.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/phipsi.pdf
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/pull.cpp.o -MF CMakeFiles/pulling.dir/pull.cpp.o.d -o CMakeFiles/pulling.dir/pull.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/pull.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/rama.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/rama.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/rdfO-O.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/rdfO-O.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2025.2/docs/reference-manual/analysis/plots/rdf.pdf /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/rdf.pdf
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/cmake -E touch /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input-rst-timestamp.txt
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-[ 37%] Built target sphinx-input-rst
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_combination.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_combination.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_combination.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_combination.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_coordnums.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_coordnums.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_coordnums.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_coordnums.cpp
+[ 38%] Built target sphinx-input-rst
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/pull_rotation.cpp.o -MF CMakeFiles/pulling.dir/pull_rotation.cpp.o.d -o CMakeFiles/pulling.dir/pull_rotation.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/pull_rotation.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/pullcoordexpressionparser.cpp.o -MF CMakeFiles/pulling.dir/pullcoordexpressionparser.cpp.o.d -o CMakeFiles/pulling.dir/pullcoordexpressionparser.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/pullcoordexpressionparser.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/pulling/CMakeFiles/pulling.dir/pullutil.cpp.o -MF CMakeFiles/pulling.dir/pullutil.cpp.o.d -o CMakeFiles/pulling.dir/pullutil.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/pullutil.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_distances.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_distances.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_distances.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_distances.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_gpath.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_gpath.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarcomp_gpath.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarcomp_gpath.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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-[ 37%] Built target pulling
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/taskassignment /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/DependInfo.cmake "--color="
-[ 38%] Built target options
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/firstorderpressurecoupling.cpp.o -MF CMakeFiles/modularsimulator.dir/firstorderpressurecoupling.cpp.o.d -o CMakeFiles/modularsimulator.dir/firstorderpressurecoupling.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/firstorderpressurecoupling.cpp
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-[ 38%] Built target taskassignment
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarproxy_replicas.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarproxy_replicas.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarproxy_replicas.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarproxy_replicas.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarproxy_system.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarproxy_system.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarproxy_system.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarproxy_system.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/forceelement.cpp.o -MF CMakeFiles/modularsimulator.dir/forceelement.cpp.o.d -o CMakeFiles/modularsimulator.dir/forceelement.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/forceelement.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/freeenergyperturbationdata.cpp.o -MF CMakeFiles/modularsimulator.dir/freeenergyperturbationdata.cpp.o.d -o CMakeFiles/modularsimulator.dir/freeenergyperturbationdata.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/freeenergyperturbationdata.cpp
+[ 38%] Built target pulling
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarproxy_tcl.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarproxy_tcl.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarproxy_tcl.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarproxy_tcl.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarproxy_volmaps.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarproxy_volmaps.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarproxy_volmaps.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarproxy_volmaps.cpp
+/usr/bin/make  -f src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/build.make src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/taskassignment /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+/usr/bin/make  -f src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/build.make src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/taskassignment && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/decidegpuusage.cpp.o -MF CMakeFiles/taskassignment.dir/decidegpuusage.cpp.o.d -o CMakeFiles/taskassignment.dir/decidegpuusage.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/decidegpuusage.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvars_memstream.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvars_memstream.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvars_memstream.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvars_memstream.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0  -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarscript.cpp.o -MF CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarscript.cpp.o.d -o CMakeFiles/colvars_objlib.dir/__/external/colvars/colvarscript.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/external/colvars/colvarscript.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o -MF CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o.d -o CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/modularsimulator.cpp
+/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/freeenergyperturbationdata.cpp.o -MF CMakeFiles/modularsimulator.dir/freeenergyperturbationdata.cpp.o.d -o CMakeFiles/modularsimulator.dir/freeenergyperturbationdata.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/freeenergyperturbationdata.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o -MF CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o.d -o CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/modularsimulator.cpp
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/mttk.cpp.o -MF CMakeFiles/modularsimulator.dir/mttk.cpp.o.d -o CMakeFiles/modularsimulator.dir/mttk.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/mttk.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/nosehooverchains.cpp.o -MF CMakeFiles/modularsimulator.dir/nosehooverchains.cpp.o.d -o CMakeFiles/modularsimulator.dir/nosehooverchains.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/nosehooverchains.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+[ 38%] Built target taskassignment
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o -MF CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o.d -o CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/parrinellorahmanbarostat.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+[ 41%] Built target colvars_objlib
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o -MF CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o.d -o CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/pmeloadbalancehelper.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/propagator.cpp.o -MF CMakeFiles/modularsimulator.dir/propagator.cpp.o.d -o CMakeFiles/modularsimulator.dir/propagator.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/propagator.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/pullelement.cpp.o -MF CMakeFiles/modularsimulator.dir/pullelement.cpp.o.d -o CMakeFiles/modularsimulator.dir/pullelement.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/pullelement.cpp
@@ -335638,8 +335526,6 @@
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -MD -MT src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o -MF CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o.d -o CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator/trajectoryelement.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-[ 41%] Built target colvars_objlib
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 [ 43%] Built target modularsimulator
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
@@ -336392,13 +336278,13 @@
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -Wno-cast-function-type-strict -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/multisim.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -Wno-cast-function-type-strict -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/printtime.cpp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -Wno-cast-function-type-strict -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/threadaffinity.cpp
 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrun/tpi.cpp: In member function 'std::pair<double, double> gmx::TestParticleInsertion::performSingleInsertion(double, int64_t, bool, const gmx::RVec&, t_state*, gmx::MdrunScheduleWorkload*, gmx_wallcycle*, t_nrnb*)':
 /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrun/tpi.cpp:494:85: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
   494 |                                                                         t_nrnb* nrnb)
       |                                                                                     ^
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -Wno-cast-function-type-strict -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/multisim.cpp
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -Wno-cast-function-type-strict -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -MF CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o.d -o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdrunutility/threadaffinity.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -Wno-cast-function-type-strict -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o -MF CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o.d -o CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/mdtypes/state_propagator_data_gpu_impl.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -Wno-cast-function-type-strict -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o -MF CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o.d -o CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o -c /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/utility/baseversion-gen.cpp
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTMPI_EXPORTS -DTMPI_USE_VISIBILITY -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/reproducible-path/gromacs-2025.2/src/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/src/include -I/build/reproducible-path/gromacs-2025.2/src -I/build/reproducible-path/gromacs-2025.2/src/external/tng_io/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/tng/include -I/build/reproducible-path/gromacs-2025.2/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/build/documentation/api/legacy/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/math/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/timing/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/utility/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pbcutil/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/pulling/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/topology/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/simd/include -I/build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2025.2/src/external -isystem /build/reproducible-path/gromacs-2025.2/src/gromacs/../external/rpc_xdr -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -isystem /build/reproducible-path/gromacs-2025.2/src/external/muparser/include -isystem /build/reproducible-path/gromacs-2025.2/src/external/lmfit -isystem /build/reproducible-path/gromacs-2025.2/src/external/colvars -isystem /build/reproducible-path/gromacs-2025.2/src/external/plumed -g -O2 -ffile-prefix-map=/build/reproducible-path/gromacs-2025.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -g -std=c++17 -fPIC -fno-inline -Wno-unknown-pragmas -Wno-missing-field-initializers -Wno-old-style-cast -Wno-cast-qual -Wno-suggest-override -Wno-suggest-destructor-override -Wno-zero-as-null-pointer-constant -Wno-cast-function-type-strict -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/fileio/checkpoint.cpp.o -MF CMakeFiles/libgromacs.dir/fileio/checkpoint.cpp.o.d -o CMakeFiles/libgromacs.dir/fileio/checkpoint.cpp.o -c /build/reproducible-path/gromacs-2025.2/src/gromacs/fileio/checkpoint.cpp
@@ -336471,9 +336357,9 @@
 /usr/bin/make  -f api/gmxapi/CMakeFiles/gmxapi.dir/build.make api/gmxapi/CMakeFiles/gmxapi.dir/depend
 /usr/bin/make  -f src/programs/CMakeFiles/gmx.dir/build.make src/programs/CMakeFiles/gmx.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/programs /build/reproducible-path/gromacs-2025.2/build/documentation/src/programs/CMakeFiles/gmx.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/gmxapi /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/api/gmxapi /build/reproducible-path/gromacs-2025.2/build/documentation/api/gmxapi/CMakeFiles/gmxapi.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/programs /build/reproducible-path/gromacs-2025.2/build/documentation/src/programs/CMakeFiles/gmx.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 /usr/bin/make  -f src/programs/CMakeFiles/gmx.dir/build.make src/programs/CMakeFiles/gmx.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
@@ -336551,9 +336437,9 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs/manual && /usr/bin/sphinx-build -q -b latex -w sphinx-latex.log -d /build/reproducible-path/gromacs-2025.2/build/documentation/docs/manual/_latex_doctrees -t do_latex /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input /build/reproducible-path/gromacs-2025.2/build/documentation/docs/manual
 WARNING: failed to reach any of the inventories with the following issues:
-intersphinx inventory 'https://mpi4py.readthedocs.io/en/stable/objects.inv' not fetchable due to <class 'requests.exceptions.ConnectionError'>: HTTPSConnectionPool(host='mpi4py.readthedocs.io', port=443): Max retries exceeded with url: /en/stable/objects.inv (Caused by NameResolutionError("<urllib3.connection.HTTPSConnection object at 0xffff88441be0>: Failed to resolve 'mpi4py.readthedocs.io' ([Errno -3] Temporary failure in name resolution)"))
+intersphinx inventory 'https://docs.python.org/3/objects.inv' not fetchable due to <class 'requests.exceptions.ConnectionError'>: HTTPSConnectionPool(host='docs.python.org', port=443): Max retries exceeded with url: /3/objects.inv (Caused by NameResolutionError("<urllib3.connection.HTTPSConnection object at 0xffffbac4dbe0>: Failed to resolve 'docs.python.org' ([Errno -3] Temporary failure in name resolution)"))
 WARNING: failed to reach any of the inventories with the following issues:
-intersphinx inventory 'https://docs.python.org/3/objects.inv' not fetchable due to <class 'requests.exceptions.ConnectionError'>: HTTPSConnectionPool(host='docs.python.org', port=443): Max retries exceeded with url: /3/objects.inv (Caused by NameResolutionError("<urllib3.connection.HTTPSConnection object at 0xffff884b1090>: Failed to resolve 'docs.python.org' ([Errno -3] Temporary failure in name resolution)"))
+intersphinx inventory 'https://mpi4py.readthedocs.io/en/stable/objects.inv' not fetchable due to <class 'requests.exceptions.ConnectionError'>: HTTPSConnectionPool(host='mpi4py.readthedocs.io', port=443): Max retries exceeded with url: /en/stable/objects.inv (Caused by NameResolutionError("<urllib3.connection.HTTPSConnection object at 0xffffbacc1090>: Failed to resolve 'mpi4py.readthedocs.io' ([Errno -3] Temporary failure in name resolution)"))
 /build/reproducible-path/gromacs-2025.2/admin/trigger-post-merge.py:53: UserWarning: This tool requires the `gitlab` package. Try `pip install python-gitlab`.
   warnings.warn(
 /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input/gmxapi/userguide/usage.rst:131: WARNING: 'any' reference target not found: os.environ [ref.any]
@@ -372114,7 +372000,7 @@
 ts/type1/urw/times/utmbi8a.pfb></usr/share/texlive/texmf-dist/fonts/type1/urw/t
 imes/utmr8a.pfb></usr/share/texlive/texmf-dist/fonts/type1/urw/times/utmri8a.pf
 b>
-Output written on gromacs.pdf (831 pages, 13343938 bytes).
+Output written on gromacs.pdf (831 pages, 13343936 bytes).
 Transcript written on gromacs.log.
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs/manual && /usr/bin/cmake -E chdir /build/reproducible-path/gromacs-2025.2/build/documentation/docs/manual /usr/bin/pdflatex -interaction=nonstopmode gromacs.tex
 This is pdfTeX, Version 3.141592653-2.6-1.40.26 (TeX Live 2025/dev/Debian) (preloaded format=pdflatex)
@@ -376839,161 +376725,161 @@
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-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/selection /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/selection /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/CMakeFiles/release-version-info.dir/DependInfo.cmake "--color="
 /usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/docs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/docs /build/reproducible-path/gromacs-2025.2/build/documentation/docs/CMakeFiles/sphinx-image-conversion.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/selection /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/selection /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake "--color="
 /usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/external/rpc_xdr /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/external/rpc_xdr /build/reproducible-path/gromacs-2025.2/build/documentation/src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/CMakeFiles/release-version-info.dir/DependInfo.cmake "--color="
 /usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_zlib.dir/build.make src/gromacs/CMakeFiles/tng_io_zlib.dir/depend
 /usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/external/rpc_xdr /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/external/rpc_xdr /build/reproducible-path/gromacs-2025.2/build/documentation/src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake "--color="
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/docs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/docs /build/reproducible-path/gromacs-2025.2/build/documentation/docs/CMakeFiles/sphinx-image-conversion.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/CMakeFiles/colvars_objlib.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/external/muparser /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/_deps/muparser-build /build/reproducible-path/gromacs-2025.2/build/documentation/_deps/muparser-build/CMakeFiles/muparser.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2025.2-Debian_2025.2_1 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2025.2 -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2025.2/build/documentation/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2025.2/build/documentation/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2025.2-1 -P /build/reproducible-path/gromacs-2025.2/cmake/gmxGenerateVersionInfoWithoutGit.cmake
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/energyanalysis /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/programs /build/reproducible-path/gromacs-2025.2/build/documentation/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake "--color="
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+make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/thread_mpi.dir/build'.
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-[ 11%] Built target options
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling/CMakeFiles/pulling.dir/DependInfo.cmake "--color="
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-/usr/bin/make  -f src/programs/CMakeFiles/gmx_objlib.dir/build.make src/programs/CMakeFiles/gmx_objlib.dir/build
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-make[4]: Nothing to be done for 'src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/build'.
+make[4]: Nothing to be done for '_deps/muparser-build/CMakeFiles/muparser.dir/build'.
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-make[4]: Nothing to be done for 'src/programs/CMakeFiles/gmx_objlib.dir/build'.
+make[4]: Nothing to be done for 'src/gromacs/options/CMakeFiles/options.dir/build'.
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/docs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/docs /build/reproducible-path/gromacs-2025.2/build/documentation/docs/CMakeFiles/sphinx-input-rst.dir/DependInfo.cmake "--color="
+make[4]: Nothing to be done for 'src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/build'.
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+[  8%] Built target tng_io_obj
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-/usr/bin/make  -f src/gromacs/CMakeFiles/colvars_objlib.dir/build.make src/gromacs/CMakeFiles/colvars_objlib.dir/build
+/usr/bin/make  -f src/programs/CMakeFiles/gmx_objlib.dir/build.make src/programs/CMakeFiles/gmx_objlib.dir/build
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+[  8%] Built target linearalgebra
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-make[4]: Nothing to be done for 'src/programs/CMakeFiles/mdrun_objlib.dir/build'.
+make[4]: Nothing to be done for 'src/programs/CMakeFiles/gmx_objlib.dir/build'.
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-[ 13%] Built target energyanalysis
+[  8%] Built target release-version-info
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-/usr/bin/make  -f docs/CMakeFiles/sphinx-input-rst.dir/build.make docs/CMakeFiles/sphinx-input-rst.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+/usr/bin/make  -f src/gromacs/CMakeFiles/colvars_objlib.dir/build.make src/gromacs/CMakeFiles/colvars_objlib.dir/build
+make[4]: Nothing to be done for 'src/programs/CMakeFiles/mdrun_objlib.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-/usr/bin/make  -f src/gromacs/pulling/CMakeFiles/pulling.dir/build.make src/gromacs/pulling/CMakeFiles/pulling.dir/build
+/usr/bin/make  -f docs/CMakeFiles/sphinx-input-rst.dir/build.make docs/CMakeFiles/sphinx-input-rst.dir/depend
+[  8%] Built target energyanalysis
+[ 11%] Built target muparser
+[ 11%] Built target thread_mpi
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/docs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/docs /build/reproducible-path/gromacs-2025.2/build/documentation/docs/CMakeFiles/sphinx-input-rst.dir/DependInfo.cmake "--color="
+/usr/bin/make  -f src/gromacs/pulling/CMakeFiles/pulling.dir/build.make src/gromacs/pulling/CMakeFiles/pulling.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling/CMakeFiles/pulling.dir/DependInfo.cmake "--color="
+[ 13%] Built target options
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+[ 13%] Built target mdrun_objlib
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+make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/colvars_objlib.dir/build'.
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+/usr/bin/make  -f src/gromacs/pulling/CMakeFiles/pulling.dir/build.make src/gromacs/pulling/CMakeFiles/pulling.dir/build
+[ 16%] Built target colvars_objlib
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-make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/colvars_objlib.dir/build'.
+make[4]: Nothing to be done for 'src/gromacs/pulling/CMakeFiles/pulling.dir/build'.
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-[ 13%] Built target mdrun_objlib
-[ 38%] Built target sphinx-input-rst
-[ 31%] Built target pulling
+[ 41%] Built target sphinx-input-rst
+[ 41%] Built target pulling
 /usr/bin/make  -f src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/build.make src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/depend
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/taskassignment /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
@@ -377026,12 +376912,12 @@
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-[100%] Built target gmx
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 /usr/bin/make  -f api/gmxapi/CMakeFiles/gmxapi.dir/build.make api/gmxapi/CMakeFiles/gmxapi.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 make[4]: Nothing to be done for 'api/gmxapi/CMakeFiles/gmxapi.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+[100%] Built target gmx
 [100%] Built target gmxapi
 /usr/bin/make  -f python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/build.make python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
@@ -377068,9 +376954,9 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/sphinx-build -q -b man -w sphinx-man.log -d /build/reproducible-path/gromacs-2025.2/build/documentation/docs/_man_doctrees -t do_man /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input /build/reproducible-path/gromacs-2025.2/build/documentation/docs/man
 WARNING: failed to reach any of the inventories with the following issues:
-intersphinx inventory 'https://docs.python.org/3/objects.inv' not fetchable due to <class 'requests.exceptions.ConnectionError'>: HTTPSConnectionPool(host='docs.python.org', port=443): Max retries exceeded with url: /3/objects.inv (Caused by NameResolutionError("<urllib3.connection.HTTPSConnection object at 0xffff9d17fb60>: Failed to resolve 'docs.python.org' ([Errno -3] Temporary failure in name resolution)"))
+intersphinx inventory 'https://docs.python.org/3/objects.inv' not fetchable due to <class 'requests.exceptions.ConnectionError'>: HTTPSConnectionPool(host='docs.python.org', port=443): Max retries exceeded with url: /3/objects.inv (Caused by NameResolutionError("<urllib3.connection.HTTPSConnection object at 0xffff8929fa10>: Failed to resolve 'docs.python.org' ([Errno -3] Temporary failure in name resolution)"))
 WARNING: failed to reach any of the inventories with the following issues:
-intersphinx inventory 'https://mpi4py.readthedocs.io/en/stable/objects.inv' not fetchable due to <class 'requests.exceptions.ConnectionError'>: HTTPSConnectionPool(host='mpi4py.readthedocs.io', port=443): Max retries exceeded with url: /en/stable/objects.inv (Caused by NameResolutionError("<urllib3.connection.HTTPSConnection object at 0xffff9d14fb10>: Failed to resolve 'mpi4py.readthedocs.io' ([Errno -3] Temporary failure in name resolution)"))
+intersphinx inventory 'https://mpi4py.readthedocs.io/en/stable/objects.inv' not fetchable due to <class 'requests.exceptions.ConnectionError'>: HTTPSConnectionPool(host='mpi4py.readthedocs.io', port=443): Max retries exceeded with url: /en/stable/objects.inv (Caused by NameResolutionError("<urllib3.connection.HTTPSConnection object at 0xffff8926bd90>: Failed to resolve 'mpi4py.readthedocs.io' ([Errno -3] Temporary failure in name resolution)"))
 /build/reproducible-path/gromacs-2025.2/admin/trigger-post-merge.py:53: UserWarning: This tool requires the `gitlab` package. Try `pip install python-gitlab`.
   warnings.warn(
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
@@ -377096,199 +376982,199 @@
 /usr/bin/make  -f src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/build.make src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/depend
 /usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend
 /usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend
+/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_zlib.dir/build.make src/gromacs/CMakeFiles/tng_io_zlib.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/CMakeFiles/release-version-info.dir/DependInfo.cmake "--color="
-/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_zlib.dir/build.make src/gromacs/CMakeFiles/tng_io_zlib.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/docs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/docs /build/reproducible-path/gromacs-2025.2/build/documentation/docs/CMakeFiles/sphinx-image-conversion.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/external/rpc_xdr /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/external/rpc_xdr /build/reproducible-path/gromacs-2025.2/build/documentation/src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/selection /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/selection /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake "--color="
 /usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend
 /usr/bin/make  -f src/gromacs/CMakeFiles/colvars_objlib.dir/build.make src/gromacs/CMakeFiles/colvars_objlib.dir/depend
-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake "--color="
+/usr/bin/make  -f _deps/muparser-build/CMakeFiles/muparser.dir/build.make _deps/muparser-build/CMakeFiles/muparser.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/CMakeFiles/lmfit_objlib.dir/DependInfo.cmake "--color="
+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend
+/usr/bin/make  -f src/gromacs/options/CMakeFiles/options.dir/build.make src/gromacs/options/CMakeFiles/options.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-/usr/bin/make  -f _deps/muparser-build/CMakeFiles/muparser.dir/build.make _deps/muparser-build/CMakeFiles/muparser.dir/depend
-cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/CMakeFiles/tng_io_zlib.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake "--color="
-/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend
-/usr/bin/make  -f src/gromacs/options/CMakeFiles/options.dir/build.make src/gromacs/options/CMakeFiles/options.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/external/muparser /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/_deps/muparser-build /build/reproducible-path/gromacs-2025.2/build/documentation/_deps/muparser-build/CMakeFiles/muparser.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/CMakeFiles/tng_io_zlib.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/external/muparser /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/_deps/muparser-build /build/reproducible-path/gromacs-2025.2/build/documentation/_deps/muparser-build/CMakeFiles/muparser.dir/DependInfo.cmake "--color="
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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+make[4]: Nothing to be done for 'docs/CMakeFiles/sphinx-image-conversion.dir/build'.
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+make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/tng_io_obj.dir/build'.
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/tng_io_zlib.dir/build'.
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build
+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build
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-make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/thread_mpi.dir/build'.
+make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/lmfit_objlib.dir/build'.
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+/usr/bin/make  -f src/gromacs/options/CMakeFiles/options.dir/build.make src/gromacs/options/CMakeFiles/options.dir/build
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+make[4]: Nothing to be done for 'src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build'.
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+/usr/bin/make  -f _deps/muparser-build/CMakeFiles/muparser.dir/build.make _deps/muparser-build/CMakeFiles/muparser.dir/build
+[  0%] Built target scanner
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+[  1%] Built target thread_mpi
+[  2%] Built target tng_io_obj
+/usr/bin/make  -f src/gromacs/CMakeFiles/colvars_objlib.dir/build.make src/gromacs/CMakeFiles/colvars_objlib.dir/build
+/usr/bin/make  -f src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/build.make src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/depend
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-/usr/bin/make  -f src/programs/CMakeFiles/gmx_objlib.dir/build.make src/programs/CMakeFiles/gmx_objlib.dir/depend
+[  2%] Built target release-version-info
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+[  2%] Built target internal_rpc_xdr
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-[  7%] Built target scanner
+/usr/bin/make  -f src/programs/CMakeFiles/gmx_objlib.dir/build.make src/programs/CMakeFiles/gmx_objlib.dir/depend
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+/usr/bin/make  -f docs/doxygen/CMakeFiles/doxygen-version.dir/build.make docs/doxygen/CMakeFiles/doxygen-version.dir/depend
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/programs /build/reproducible-path/gromacs-2025.2/build/documentation/src/programs/CMakeFiles/gmx_objlib.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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-[  8%] Built target linearalgebra
+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/docs/doxygen /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen/CMakeFiles/doxygen-version.dir/DependInfo.cmake "--color="
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-[ 10%] Built target release-version-info
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/programs /build/reproducible-path/gromacs-2025.2/build/documentation/src/programs/CMakeFiles/gmx_objlib.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/docs/doxygen /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen/CMakeFiles/doxygen-source-timestamp.dir/DependInfo.cmake "--color="
+[  2%] Built target lmfit_objlib
 /usr/bin/make  -f docs/CMakeFiles/sphinx-input-rst.dir/build.make docs/CMakeFiles/sphinx-input-rst.dir/depend
-/usr/bin/make  -f docs/doxygen/CMakeFiles/doxygen-version.dir/build.make docs/doxygen/CMakeFiles/doxygen-version.dir/depend
-[ 11%] Built target options
+[  2%] Built target linearalgebra
+[  8%] Built target sphinx-image-conversion
+[ 10%] Built target options
+[ 11%] Built target tng_io_zlib
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+/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/docs /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/docs /build/reproducible-path/gromacs-2025.2/build/documentation/docs/CMakeFiles/sphinx-input-rst.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+make[4]: Nothing to be done for 'src/programs/CMakeFiles/mdrun_objlib.dir/build'.
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+/usr/bin/make  -f docs/doxygen/CMakeFiles/doxygen-version.dir/build.make docs/doxygen/CMakeFiles/doxygen-version.dir/build
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-/usr/bin/make  -f src/gromacs/pulling/CMakeFiles/pulling.dir/build.make src/gromacs/pulling/CMakeFiles/pulling.dir/depend
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen && /usr/bin/cmake -D VERSION_VARIABLES=/build/reproducible-path/gromacs-2025.2/build/documentation/VersionInfo.cmake -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2025.2/docs/doxygen/Doxyfile-version.cmakein -D VERSION_OUT=Doxyfile-version -P /build/reproducible-path/gromacs-2025.2/cmake/gmxConfigureVersionInfo.cmake
+/usr/bin/make  -f src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/build.make src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/build
+[ 13%] Built target muparser
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+/usr/bin/make  -f src/gromacs/pulling/CMakeFiles/pulling.dir/build.make src/gromacs/pulling/CMakeFiles/pulling.dir/depend
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+cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling/CMakeFiles/pulling.dir/DependInfo.cmake "--color="
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+/usr/bin/make  -f src/programs/CMakeFiles/gmx_objlib.dir/build.make src/programs/CMakeFiles/gmx_objlib.dir/build
+[ 13%] Built target mdrun_objlib
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+/usr/bin/make  -f docs/doxygen/CMakeFiles/doxygen-source-timestamp.dir/build.make docs/doxygen/CMakeFiles/doxygen-source-timestamp.dir/build
+/usr/bin/make  -f docs/CMakeFiles/sphinx-input-rst.dir/build.make docs/CMakeFiles/sphinx-input-rst.dir/build
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/pulling/CMakeFiles/pulling.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-make[4]: Nothing to be done for 'src/programs/CMakeFiles/mdrun_objlib.dir/build'.
+make[4]: Nothing to be done for 'src/programs/CMakeFiles/gmx_objlib.dir/build'.
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen && /usr/bin/cmake -D VERSION_VARIABLES=/build/reproducible-path/gromacs-2025.2/build/documentation/VersionInfo.cmake -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2025.2/docs/doxygen/Doxyfile-version.cmakein -D VERSION_OUT=Doxyfile-version -P /build/reproducible-path/gromacs-2025.2/cmake/gmxConfigureVersionInfo.cmake
+make[4]: Nothing to be done for 'docs/CMakeFiles/sphinx-input-rst.dir/build'.
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-[ 13%] Built target gmx_objlib
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-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-[ 16%] Built target mdrun_objlib
+[ 16%] Built target gmx_objlib
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen && /usr/bin/cmake -E touch Doxyfile-version
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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-[ 16%] Built target doxygen-source-timestamp
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen && /usr/bin/cmake -E touch Doxyfile-version
 [ 41%] Built target sphinx-input-rst
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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 /usr/bin/make  -f src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/build.make src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/depend
-/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/taskassignment /build/reproducible-path/gromacs-2025.2/build/documentation/src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/DependInfo.cmake "--color="
+[ 41%] Built target doxygen-source-timestamp
 [ 41%] Built target doxygen-version
+/usr/bin/make  -f docs/doxygen/CMakeFiles/doxygen-xml.dir/build.make docs/doxygen/CMakeFiles/doxygen-xml.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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-/usr/bin/make  -f docs/doxygen/CMakeFiles/doxygen-xml.dir/build.make docs/doxygen/CMakeFiles/doxygen-xml.dir/depend
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen && /usr/bin/cmake -E make_directory /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen/depgraphs
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 /usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen && /usr/bin/cmake -E make_directory /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen/depgraphs
 [ 41%] Built target taskassignment
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen && /usr/bin/cmake -DDOCTYPE=xml -P RunDoxygen.cmake
-NOTE: You are using Doxygen version 1.9.8. The documentation is designed for 1.8.5. Other versions may or may not work, but very likely produce extra warnings.
-Running Doxygen...
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 make[4]: Nothing to be done for 'src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen && /usr/bin/cmake -DDOCTYPE=xml -P RunDoxygen.cmake
+NOTE: You are using Doxygen version 1.9.8. The documentation is designed for 1.8.5. Other versions may or may not work, but very likely produce extra warnings.
+Running Doxygen...
 [ 42%] Built target modularsimulator
 /usr/bin/make  -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend
 warning: Tag 'MSCGEN_PATH' at line 40 of file 'Doxyfile-common' has become obsolete.
@@ -377314,12 +377200,12 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 make[4]: Nothing to be done for 'src/programs/CMakeFiles/gmx.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+[ 98%] Built target gmx
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 /usr/bin/make  -f api/gmxapi/CMakeFiles/gmxapi.dir/build.make api/gmxapi/CMakeFiles/gmxapi.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
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-[ 98%] Built target gmx
 [ 98%] Built target gmxapi
 /usr/bin/make  -f python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/build.make python_packaging/gmxapi/CMakeFiles/_gmxapi.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
@@ -377374,9 +377260,9 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs && /usr/bin/sphinx-build -q -b html -w sphinx-html.log -d /build/reproducible-path/gromacs-2025.2/build/documentation/docs/_html_doctrees -t do_html /build/reproducible-path/gromacs-2025.2/build/documentation/docs/sphinx-input /build/reproducible-path/gromacs-2025.2/build/documentation/docs/html
 WARNING: failed to reach any of the inventories with the following issues:
-intersphinx inventory 'https://docs.python.org/3/objects.inv' not fetchable due to <class 'requests.exceptions.ConnectionError'>: HTTPSConnectionPool(host='docs.python.org', port=443): Max retries exceeded with url: /3/objects.inv (Caused by NameResolutionError("<urllib3.connection.HTTPSConnection object at 0xffffa311d160>: Failed to resolve 'docs.python.org' ([Errno -3] Temporary failure in name resolution)"))
+intersphinx inventory 'https://docs.python.org/3/objects.inv' not fetchable due to <class 'requests.exceptions.ConnectionError'>: HTTPSConnectionPool(host='docs.python.org', port=443): Max retries exceeded with url: /3/objects.inv (Caused by NameResolutionError("<urllib3.connection.HTTPSConnection object at 0xffff9d07d010>: Failed to resolve 'docs.python.org' ([Errno -3] Temporary failure in name resolution)"))
 WARNING: failed to reach any of the inventories with the following issues:
-intersphinx inventory 'https://mpi4py.readthedocs.io/en/stable/objects.inv' not fetchable due to <class 'requests.exceptions.ConnectionError'>: HTTPSConnectionPool(host='mpi4py.readthedocs.io', port=443): Max retries exceeded with url: /en/stable/objects.inv (Caused by NameResolutionError("<urllib3.connection.HTTPSConnection object at 0xffffa3118e10>: Failed to resolve 'mpi4py.readthedocs.io' ([Errno -3] Temporary failure in name resolution)"))
+intersphinx inventory 'https://mpi4py.readthedocs.io/en/stable/objects.inv' not fetchable due to <class 'requests.exceptions.ConnectionError'>: HTTPSConnectionPool(host='mpi4py.readthedocs.io', port=443): Max retries exceeded with url: /en/stable/objects.inv (Caused by NameResolutionError("<urllib3.connection.HTTPSConnection object at 0xffff9d074e10>: Failed to resolve 'mpi4py.readthedocs.io' ([Errno -3] Temporary failure in name resolution)"))
 /build/reproducible-path/gromacs-2025.2/admin/trigger-post-merge.py:53: UserWarning: This tool requires the `gitlab` package. Try `pip install python-gitlab`.
   warnings.warn(
 The following warnings were produced by Doxygen:
@@ -377635,13 +377521,13 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/docs/doxygen /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen/CMakeFiles/dep-graphs-dot.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+/usr/bin/make  -f docs/doxygen/CMakeFiles/dep-graphs-dot.dir/build.make docs/doxygen/CMakeFiles/dep-graphs-dot.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen && /usr/bin/python3 /build/reproducible-path/gromacs-2025.2/docs/doxygen/graphbuilder.py -S /build/reproducible-path/gromacs-2025.2 -B /build/reproducible-path/gromacs-2025.2/build/documentation -o /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen/depgraphs
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 /usr/bin/make  -f docs/doxygen/CMakeFiles/doxygen-user.dir/build.make docs/doxygen/CMakeFiles/doxygen-user.dir/build
-/usr/bin/make  -f docs/doxygen/CMakeFiles/dep-graphs-dot.dir/build.make docs/doxygen/CMakeFiles/dep-graphs-dot.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen && /usr/bin/cmake -E make_directory /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen/depgraphs
-make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen && /usr/bin/python3 /build/reproducible-path/gromacs-2025.2/docs/doxygen/graphbuilder.py -S /build/reproducible-path/gromacs-2025.2 -B /build/reproducible-path/gromacs-2025.2/build/documentation -o /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen/depgraphs
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen && /usr/bin/cmake -DDOCTYPE=user -P RunDoxygen.cmake
 NOTE: You are using Doxygen version 1.9.8. The documentation is designed for 1.8.5. Other versions may or may not work, but very likely produce extra warnings.
 Running Doxygen...
@@ -377667,15 +377553,15 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/docs/doxygen /build/reproducible-path/gromacs-2025.2/build/documentation /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen/CMakeFiles/doxygen-lib.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
+/usr/bin/make  -f docs/doxygen/CMakeFiles/doxygen-lib.dir/build.make docs/doxygen/CMakeFiles/doxygen-lib.dir/build
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 /usr/bin/make  -f docs/doxygen/CMakeFiles/doxygen-full.dir/build.make docs/doxygen/CMakeFiles/doxygen-full.dir/build
-/usr/bin/make  -f docs/doxygen/CMakeFiles/doxygen-lib.dir/build.make docs/doxygen/CMakeFiles/doxygen-lib.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen && /usr/bin/cmake -E make_directory /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen/depgraphs
 make[4]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/documentation'
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen && /usr/bin/cmake -E make_directory /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen/depgraphs
-cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen && /usr/bin/cmake -DDOCTYPE=full -P RunDoxygen.cmake
 cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen && /usr/bin/cmake -DDOCTYPE=lib -P RunDoxygen.cmake
+cd /build/reproducible-path/gromacs-2025.2/build/documentation/docs/doxygen && /usr/bin/cmake -DDOCTYPE=full -P RunDoxygen.cmake
 NOTE: You are using Doxygen version 1.9.8. The documentation is designed for 1.8.5. Other versions may or may not work, but very likely produce extra warnings.
 Running Doxygen...
 NOTE: You are using Doxygen version 1.9.8. The documentation is designed for 1.8.5. Other versions may or may not work, but very likely produce extra warnings.
@@ -377686,6 +377572,8 @@
          To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u"
 libpath/shortest.c:324: triangulation failed
 libpath/shortest.c:324: triangulation failed
+libpath/shortest.c:324: triangulation failed
+libpath/shortest.c:324: triangulation failed
 The following warnings were produced by Doxygen:
 /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/biasgrid.h:279: warning: the \endcond does not have a corresponding \cond in this file
 /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/biasgrid.h:279: warning: the \endcond does not have a corresponding \cond in this file
@@ -378532,8 +378420,6 @@
 [100%] Built target doxygen-user
 libpath/shortest.c:324: triangulation failed
 libpath/shortest.c:324: triangulation failed
-libpath/shortest.c:324: triangulation failed
-libpath/shortest.c:324: triangulation failed
 The following warnings were produced by Doxygen:
 /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/biasgrid.h:279: warning: the \endcond does not have a corresponding \cond in this file
 /build/reproducible-path/gromacs-2025.2/src/gromacs/applied_forces/awh/biasgrid.h:279: warning: the \endcond does not have a corresponding \cond in this file
@@ -382282,116 +382168,116 @@
 /usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend
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 /usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend
-/usr/bin/make  -f src/gromacs/CMakeFiles/colvars_objlib.dir/build.make src/gromacs/CMakeFiles/colvars_objlib.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
 cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/CMakeFiles/release-version-info.dir/DependInfo.cmake "--color="
+/usr/bin/make  -f src/gromacs/CMakeFiles/colvars_objlib.dir/build.make src/gromacs/CMakeFiles/colvars_objlib.dir/depend
 /usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend
+/usr/bin/make  -f src/gromacs/options/CMakeFiles/options.dir/build.make src/gromacs/options/CMakeFiles/options.dir/depend
+/usr/bin/make  -f src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/build.make src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
-cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/external/rpc_xdr /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/external/rpc_xdr /build/reproducible-path/gromacs-2025.2/build/mpi/src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/DependInfo.cmake "--color="
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/external/rpc_xdr /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/external/rpc_xdr /build/reproducible-path/gromacs-2025.2/build/mpi/src/external/rpc_xdr/CMakeFiles/internal_rpc_xdr.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake "--color="
+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/mpi'
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/energyanalysis /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/energyanalysis /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/energyanalysis/CMakeFiles/energyanalysis.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/gromacs-2025.2/build/mpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2025.2/build/mpi /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2025.2/build/mpi/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake "--color="
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+[ 97%] Built target gmx
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-[100%] Built target methane-water-integration
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+cd /build/reproducible-path/gromacs-2025.2/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs /build/reproducible-path/gromacs-2025.2/build/basic /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs /build/reproducible-path/gromacs-2025.2/build/basic/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake "--color="
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 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pulling /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/pulling/CMakeFiles/pulling.dir/DependInfo.cmake "--color="
+[  4%] Built target release-version-info
+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+make[3]: Nothing to be done for 'src/gromacs/CMakeFiles/colvars_objlib.dir/build'.
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-/usr/bin/make  -f src/gromacs/CMakeFiles/colvars_objlib.dir/build.make src/gromacs/CMakeFiles/colvars_objlib.dir/build
+[  8%] Built target thread_mpi
+[ 12%] Built target colvars_objlib
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
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-make[3]: Nothing to be done for 'src/gromacs/CMakeFiles/colvars_objlib.dir/build'.
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-[ 10%] Built target pulling
+[ 14%] Built target pulling
 /usr/bin/make  -f src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/build.make src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/depend
 /usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend
-[ 14%] Built target colvars_objlib
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/taskassignment /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/taskassignment /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/DependInfo.cmake "--color="
+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake "--color="
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 /usr/bin/make  -f src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/build.make src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 make[3]: Nothing to be done for 'src/gromacs/taskassignment/CMakeFiles/taskassignment.dir/build'.
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake "--color="
-[ 14%] Built target taskassignment
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 /usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build
+[ 14%] Built target taskassignment
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 make[3]: Nothing to be done for 'src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build'.
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
@@ -385087,22 +384973,22 @@
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/src/programs /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs /build/reproducible-path/gromacs-2025.2/build/basic-dp/src/programs/CMakeFiles/gmx.dir/DependInfo.cmake "--color="
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/gmxapi /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/gmxapi/CMakeFiles/gmxapi.dir/DependInfo.cmake "--color="
+make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/CMakeFiles/nblib.dir/DependInfo.cmake "--color="
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
+/usr/bin/make  -f api/gmxapi/CMakeFiles/gmxapi.dir/build.make api/gmxapi/CMakeFiles/gmxapi.dir/build
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 /usr/bin/make  -f src/programs/CMakeFiles/gmx.dir/build.make src/programs/CMakeFiles/gmx.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 make[3]: Nothing to be done for 'src/programs/CMakeFiles/gmx.dir/build'.
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-cd /build/reproducible-path/gromacs-2025.2/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2025.2 /build/reproducible-path/gromacs-2025.2/api/nblib /build/reproducible-path/gromacs-2025.2/build/basic-dp /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib /build/reproducible-path/gromacs-2025.2/build/basic-dp/api/nblib/CMakeFiles/nblib.dir/DependInfo.cmake "--color="
-[ 95%] Built target gmx
+make[3]: Nothing to be done for 'api/gmxapi/CMakeFiles/gmxapi.dir/build'.
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-/usr/bin/make  -f api/gmxapi/CMakeFiles/gmxapi.dir/build.make api/gmxapi/CMakeFiles/gmxapi.dir/build
+[ 95%] Built target gmx
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 /usr/bin/make  -f api/nblib/CMakeFiles/nblib.dir/build.make api/nblib/CMakeFiles/nblib.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-make[3]: Nothing to be done for 'api/gmxapi/CMakeFiles/gmxapi.dir/build'.
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
-make[3]: Entering directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 make[3]: Nothing to be done for 'api/nblib/CMakeFiles/nblib.dir/build'.
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2025.2/build/basic-dp'
 [ 97%] Built target gmxapi
@@ -385790,7 +385676,7 @@
 Now scanning "/build/reproducible-path/gromacs-2025.2/debian/gromacs-data/usr/share/doc", found 24751 files.
 Now have 24751 files in total.
 Removed 0 files due to nonunique device and inode.
-Total size is 414083112 bytes or 395 MiB
+Total size is 414085035 bytes or 395 MiB
 Removed 8195 files due to unique sizes from list. 16556 files left.
 Now eliminating candidates based on first bytes: removed 3532 files from list. 13024 files left.
 Now eliminating candidates based on last bytes: removed 1806 files from list. 11218 files left.
@@ -394648,18 +394534,18 @@
  diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged
 dh_installdeb -a
 dh_gencontrol -a
-dpkg-gencontrol: warning: Depends field of package libgromacs-dev: substitution variable ${shlibs:Depends} used, but is not defined
 dpkg-gencontrol: warning: Depends field of package libnblib-gmx-dev: substitution variable ${shlibs:Depends} used, but is not defined
+dpkg-gencontrol: warning: Depends field of package libgromacs-dev: substitution variable ${shlibs:Depends} used, but is not defined
 dh_md5sums -a
 dh_builddeb -a
-dpkg-deb: building package 'libgromacs10-dbgsym' in '../libgromacs10-dbgsym_2025.2-1_arm64.deb'.
 dpkg-deb: building package 'gromacs-dbgsym' in '../gromacs-dbgsym_2025.2-1_arm64.deb'.
 dpkg-deb: building package 'gromacs' in '../gromacs_2025.2-1_arm64.deb'.
-dpkg-deb: building package 'libnblib-gmx0' in '../libnblib-gmx0_2025.2-1_arm64.deb'.
 dpkg-deb: building package 'libgromacs10' in '../libgromacs10_2025.2-1_arm64.deb'.
+dpkg-deb: building package 'libnblib-gmx-dev' in '../libnblib-gmx-dev_2025.2-1_arm64.deb'.
 dpkg-deb: building package 'libgromacs-dev' in '../libgromacs-dev_2025.2-1_arm64.deb'.
+dpkg-deb: building package 'libnblib-gmx0' in '../libnblib-gmx0_2025.2-1_arm64.deb'.
+dpkg-deb: building package 'libgromacs10-dbgsym' in '../libgromacs10-dbgsym_2025.2-1_arm64.deb'.
 dpkg-deb: building package 'libnblib-gmx0-dbgsym' in '../libnblib-gmx0-dbgsym_2025.2-1_arm64.deb'.
-dpkg-deb: building package 'libnblib-gmx-dev' in '../libnblib-gmx-dev_2025.2-1_arm64.deb'.
  dpkg-genbuildinfo --build=binary -O../gromacs_2025.2-1_arm64.buildinfo
  dpkg-genchanges --build=binary -O../gromacs_2025.2-1_arm64.changes
 dpkg-genchanges: info: binary-only upload (no source code included)
@@ -394667,12 +394553,14 @@
 dpkg-buildpackage: info: binary-only upload (no source included)
 dpkg-genchanges: info: including full source code in upload
 I: copying local configuration
+I: user script /srv/workspace/pbuilder/2767361/tmp/hooks/B01_cleanup starting
+I: user script /srv/workspace/pbuilder/2767361/tmp/hooks/B01_cleanup finished
 I: unmounting dev/ptmx filesystem
 I: unmounting dev/pts filesystem
 I: unmounting dev/shm filesystem
 I: unmounting proc filesystem
 I: unmounting sys filesystem
 I: cleaning the build env 
-I: removing directory /srv/workspace/pbuilder/1268376 and its subdirectories
-I: Current time: Fri Aug 15 12:45:56 -12 2025
-I: pbuilder-time-stamp: 1755305156
+I: removing directory /srv/workspace/pbuilder/2767361 and its subdirectories
+I: Current time: Fri Sep 18 22:37:21 +14 2026
+I: pbuilder-time-stamp: 1789720641